Phenylpropanoids and polyketides
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α-Bromocinnamaldehyde, 98%, Thermo Scientific™
CAS: 5443-49-2 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br
| PubChem CID | 5369403 |
|---|---|
| CAS | 5443-49-2 |
| SMILES | C1=CC=C(C=C1)C=C(C=O)Br |
| Synonym | alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo |
| IUPAC Name | (Z)-2-bromo-3-phenylprop-2-enal |
| InChI Key | WQRWNOKNRHCLHV-TWGQIWQCSA-N |
DL-Phenylsuccinic acid, 98+%
CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
| PubChem CID | 95459 |
|---|---|
| CAS | 635-51-8 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00004256 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)C(=O)O |
| Synonym | phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl |
| IUPAC Name | 2-phenylbutanedioic acid |
| InChI Key | LVFFZQQWIZURIO-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Chalcone, 97%
CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 637760 |
|---|---|
| CAS | 94-41-7 |
| Molecular Weight (g/mol) | 208.26 |
| ChEBI | CHEBI:48965 |
| MDL Number | MFCD00003082 |
| SMILES | O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone |
| InChI Key | DQFBYFPFKXHELB-VAWYXSNFSA-N |
| Molecular Formula | C15H12O |
Phloretin, 98%
CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.272 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
| PubChem CID | 4788 |
|---|---|
| CAS | 60-82-2 |
| Molecular Weight (g/mol) | 274.272 |
| ChEBI | CHEBI:17276 |
| MDL Number | MFCD00002288 |
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O |
| Synonym | phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| InChI Key | VGEREEWJJVICBM-UHFFFAOYSA-N |
| Molecular Formula | C15H14O5 |
5,7-Dihydroxy-4'-methoxyisoflavone, 98%
CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280373 |
|---|---|
| CAS | 491-80-5 |
| Molecular Weight (g/mol) | 284.27 |
| ChEBI | CHEBI:17574 |
| MDL Number | MFCD00006839 |
| SMILES | COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| InChI Key | WUADCCWRTIWANL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Molecular Formula: C46H62N4O11 Molecular Weight (g/mol): 847.02 MDL Number: MFCD00866816 InChI Key: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonym: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 PubChem CID: 57448257 IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
| PubChem CID | 57448257 |
|---|---|
| CAS | 72559-06-9 |
| Molecular Weight (g/mol) | 847.02 |
| MDL Number | MFCD00866816 |
| SMILES | CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O |
| Synonym | rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 |
| IUPAC Name | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate |
| InChI Key | ATEBXHFBFRCZMA-VXTBVIBXSA-N |
| Molecular Formula | C46H62N4O11 |
4-Hydroxychalcone, 97%
CAS: 20426-12-4 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00016488 InChI Key: PWWCDTYUYPOAIU-DHZHZOJOSA-N Synonym: 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 PubChem CID: 5282361 ChEBI: CHEBI:34423 IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1
| PubChem CID | 5282361 |
|---|---|
| CAS | 20426-12-4 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:34423 |
| MDL Number | MFCD00016488 |
| SMILES | OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1 |
| Synonym | 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| InChI Key | PWWCDTYUYPOAIU-DHZHZOJOSA-N |
| Molecular Formula | C15H12O2 |
Phenyl Salicylate, Crystal, Purified, 98%, Spectrum™ Chemical
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CAS: 118-55-8
| CAS | 118-55-8 |
|---|
5,7-Dimethoxycoumarin, 98%
CAS: 487-06-9 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00006870 InChI Key: NXJCRELRQHZBQA-UHFFFAOYSA-N Synonym: 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy PubChem CID: 2775 IUPAC Name: 5,7-dimethoxychromen-2-one SMILES: COC1=CC(=C2C=CC(=O)OC2=C1)OC
| PubChem CID | 2775 |
|---|---|
| CAS | 487-06-9 |
| Molecular Weight (g/mol) | 206.197 |
| MDL Number | MFCD00006870 |
| SMILES | COC1=CC(=C2C=CC(=O)OC2=C1)OC |
| Synonym | 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy |
| IUPAC Name | 5,7-dimethoxychromen-2-one |
| InChI Key | NXJCRELRQHZBQA-UHFFFAOYSA-N |
| Molecular Formula | C11H10O4 |
alpha-Bromocinnamaldehyde, 98%
CAS: 5443-49-2 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00006965 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br
| PubChem CID | 5369403 |
|---|---|
| CAS | 5443-49-2 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00006965 |
| SMILES | C1=CC=C(C=C1)C=C(C=O)Br |
| Synonym | alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo |
| IUPAC Name | (Z)-2-bromo-3-phenylprop-2-enal |
| InChI Key | WQRWNOKNRHCLHV-TWGQIWQCSA-N |
| Molecular Formula | C9H7BrO |
3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98+%
CAS: 779-89-5 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.159 MDL Number: MFCD00004393 InChI Key: KSBWHDDGWSYETA-SNAWJCMRSA-N Synonym: 3-trifluoromethyl cinnamic acid,3-3-trifluoromethyl phenyl acrylic acid,m-trifluoromethyl cinnamic acid,e-3-trifluoromethyl cinnamic acid,unii-p9lj9on37w,2e-3-3-trifluoromethyl phenyl prop-2-enoic acid,e-m-trifluoromethyl cinnamic acid,3-e-trifluoromethyl cinnamic acid PubChem CID: 719451 ChEBI: CHEBI:60704 IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O
| PubChem CID | 719451 |
|---|---|
| CAS | 779-89-5 |
| Molecular Weight (g/mol) | 216.159 |
| ChEBI | CHEBI:60704 |
| MDL Number | MFCD00004393 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O |
| Synonym | 3-trifluoromethyl cinnamic acid,3-3-trifluoromethyl phenyl acrylic acid,m-trifluoromethyl cinnamic acid,e-3-trifluoromethyl cinnamic acid,unii-p9lj9on37w,2e-3-3-trifluoromethyl phenyl prop-2-enoic acid,e-m-trifluoromethyl cinnamic acid,3-e-trifluoromethyl cinnamic acid |
| IUPAC Name | (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
| InChI Key | KSBWHDDGWSYETA-SNAWJCMRSA-N |
| Molecular Formula | C10H7F3O2 |
Anisoin, 97%
CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
| PubChem CID | 95415 |
|---|---|
| CAS | 119-52-8 |
| Molecular Weight (g/mol) | 272.30 |
| MDL Number | MFCD00008411 |
| SMILES | COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1 |
| Synonym | anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one |
| IUPAC Name | 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone |
| InChI Key | LRRQSCPPOIUNGX-UHFFFAOYNA-N |
| Molecular Formula | C16H16O4 |
alpha-Methylcinnamic acid, 99%
CAS: 1199-77-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002652 InChI Key: XNCRUNXWPDJHGV-BQYQJAHWSA-N Synonym: alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid PubChem CID: 637817 IUPAC Name: (E)-2-methyl-3-phenylprop-2-enoic acid SMILES: C\C(=C/C1=CC=CC=C1)C(O)=O
| PubChem CID | 637817 |
|---|---|
| CAS | 1199-77-5 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00002652 |
| SMILES | C\C(=C/C1=CC=CC=C1)C(O)=O |
| Synonym | alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-enoic acid |
| InChI Key | XNCRUNXWPDJHGV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O2 |
4-(2-Carboxyethyl)benzeneboronic acid, 97%
CAS: 166316-48-9 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.993 MDL Number: MFCD01318119 InChI Key: VPSARXNVXCRDIV-UHFFFAOYSA-N Synonym: 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid PubChem CID: 3863484 IUPAC Name: 3-(4-boronophenyl)propanoic acid SMILES: B(C1=CC=C(C=C1)CCC(=O)O)(O)O
| PubChem CID | 3863484 |
|---|---|
| CAS | 166316-48-9 |
| Molecular Weight (g/mol) | 193.993 |
| MDL Number | MFCD01318119 |
| SMILES | B(C1=CC=C(C=C1)CCC(=O)O)(O)O |
| Synonym | 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid |
| IUPAC Name | 3-(4-boronophenyl)propanoic acid |
| InChI Key | VPSARXNVXCRDIV-UHFFFAOYSA-N |
| Molecular Formula | C9H11BO4 |
2-Benzyl-N-Boc-L-proline, 95%
CAS: 706806-60-2 Molecular Formula: C17H23NO4 Molecular Weight (g/mol): 305.374 MDL Number: MFCD06795522 InChI Key: JUUNPRGYFCIXSM-QGZVFWFLSA-N Synonym: boc-r-alpha-benzyl-proline,r-2-benzyl-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,r-2-benzyl-1-boc-2-pyrrolidinecarboxylic acid,r-2-benzyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester,2r-2-benzyl-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,boc-,a-benzyl l-proline,2-benzyl-n-boc-l-proline,boc-r-,a-benzyl-pro-oh,boc-r-alpha-benzyl-pro-oh,2-benzyl-1-tert-butoxycarbonyl proline PubChem CID: 2761823 IUPAC Name: (2R)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2)C(=O)O
| PubChem CID | 2761823 |
|---|---|
| CAS | 706806-60-2 |
| Molecular Weight (g/mol) | 305.374 |
| MDL Number | MFCD06795522 |
| SMILES | CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2)C(=O)O |
| Synonym | boc-r-alpha-benzyl-proline,r-2-benzyl-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,r-2-benzyl-1-boc-2-pyrrolidinecarboxylic acid,r-2-benzyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester,2r-2-benzyl-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,boc-,a-benzyl l-proline,2-benzyl-n-boc-l-proline,boc-r-,a-benzyl-pro-oh,boc-r-alpha-benzyl-pro-oh,2-benzyl-1-tert-butoxycarbonyl proline |
| IUPAC Name | (2R)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI Key | JUUNPRGYFCIXSM-QGZVFWFLSA-N |
| Molecular Formula | C17H23NO4 |