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Filtered Search Results
Bleomycin Sulfate (mixture) 85.0+%, TCI America™
CAS: 9041-93-4 Molecular Formula: C55H85N17O25S4 Molecular Weight (g/mol): 1512.619 MDL Number: MFCD00070310 InChI Key: WUIABRMSWOKTOF-UHFFFAOYSA-N PubChem CID: 131664136 IUPAC Name: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hyd SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)O
| PubChem CID | 131664136 |
|---|---|
| CAS | 9041-93-4 |
| Molecular Weight (g/mol) | 1512.619 |
| MDL Number | MFCD00070310 |
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)O |
| IUPAC Name | [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hyd |
| InChI Key | WUIABRMSWOKTOF-UHFFFAOYSA-N |
| Molecular Formula | C55H85N17O25S4 |
Ciprofloxacin Hydrochloride, MP Biomedicals™
CAS: 86393-32-0 Molecular Formula: C17H21ClFN3O4 Molecular Weight (g/mol): 385.82 MDL Number: MFCD00242856 InChI Key: ARPUHYJMCVWYCZ-UHFFFAOYSA-N Synonym: Cipro, Ciproxan, 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperzinyl)-3-quinolinecarboxylic acid HCl H2O PubChem CID: 62998 ChEBI: CHEBI:59936 IUPAC Name: hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride SMILES: [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
| PubChem CID | 62998 |
|---|---|
| CAS | 86393-32-0 |
| Molecular Weight (g/mol) | 385.82 |
| ChEBI | CHEBI:59936 |
| MDL Number | MFCD00242856 |
| SMILES | [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O |
| Synonym | Cipro, Ciproxan, 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperzinyl)-3-quinolinecarboxylic acid HCl H2O |
| IUPAC Name | hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride |
| InChI Key | ARPUHYJMCVWYCZ-UHFFFAOYSA-N |
| Molecular Formula | C17H21ClFN3O4 |
Thermo Scientific Chemicals Cefazolin sodium salt, 98%
CAS: 27164-46-1 Molecular Formula: C14H16N8NaO4S3 Molecular Weight (g/mol): 479.504 MDL Number: MFCD0005688 InChI Key: MTIAAUXSENDLGW-SLNAEPSVSA-N PubChem CID: 131673922 IUPAC Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;molecular hydrogen;sodium SMILES: [HH].CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O.[Na]
| PubChem CID | 131673922 |
|---|---|
| CAS | 27164-46-1 |
| Molecular Weight (g/mol) | 479.504 |
| MDL Number | MFCD0005688 |
| SMILES | [HH].CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O.[Na] |
| IUPAC Name | (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;molecular hydrogen;sodium |
| InChI Key | MTIAAUXSENDLGW-SLNAEPSVSA-N |
| Molecular Formula | C14H16N8NaO4S3 |
Thermo Scientific Chemicals Carbenicillin disodium salt, 90%
CAS: 4800-94-6 Molecular Formula: C17H16N2Na2O6S Molecular Weight (g/mol): 422.36 MDL Number: MFCD00077683 InChI Key: RTYJTGSCYUUYAL-YCAHSCEMSA-L PubChem CID: 20933 ChEBI: CHEBI:34609 IUPAC Name: disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate SMILES: [Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O
| PubChem CID | 20933 |
|---|---|
| CAS | 4800-94-6 |
| Molecular Weight (g/mol) | 422.36 |
| ChEBI | CHEBI:34609 |
| MDL Number | MFCD00077683 |
| SMILES | [Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O |
| IUPAC Name | disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| InChI Key | RTYJTGSCYUUYAL-YCAHSCEMSA-L |
| Molecular Formula | C17H16N2Na2O6S |
Streptavidin, Streptomyces avidinii, Thermo Scientific Chemicals
CAS: 9013-20-1 Molecular Formula: C14H17BrClNO2S Molecular Weight (g/mol): 378.709 MDL Number: MFCD00082035 InChI Key: RTWACOLFHOBGCE-UHFFFAOYSA-N PubChem CID: 51062757 IUPAC Name: 2-[(3-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid;bromide SMILES: C1CC[N+](=C(C2=CC(=CC=C2)Cl)SCC(=O)O)CC1.[Br-]
| PubChem CID | 51062757 |
|---|---|
| CAS | 9013-20-1 |
| Molecular Weight (g/mol) | 378.709 |
| MDL Number | MFCD00082035 |
| SMILES | C1CC[N+](=C(C2=CC(=CC=C2)Cl)SCC(=O)O)CC1.[Br-] |
| IUPAC Name | 2-[(3-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid;bromide |
| InChI Key | RTWACOLFHOBGCE-UHFFFAOYSA-N |
| Molecular Formula | C14H17BrClNO2S |
Moxalactam sodium salt, 50 mg/mL in distilled water, sterile-filtered, Thermo Scientific™
CAS: 64953-12-4 Molecular Formula: C20H18N6Na2O9S Molecular Weight (g/mol): 564.437 MDL Number: MFCD03427565 InChI Key: GRIXGZQULWMCLU-GDUWRUPCSA-L PubChem CID: 12856838 IUPAC Name: disodium;(6R,7R)-7-[[(2R)-2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]
| PubChem CID | 12856838 |
|---|---|
| CAS | 64953-12-4 |
| Molecular Weight (g/mol) | 564.437 |
| MDL Number | MFCD03427565 |
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+] |
| IUPAC Name | disodium;(6R,7R)-7-[[(2R)-2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChI Key | GRIXGZQULWMCLU-GDUWRUPCSA-L |
| Molecular Formula | C20H18N6Na2O9S |
Doxycycline hydrochloride
CAS: 10592-13-9 Molecular Formula: C22H25ClN2O8 Molecular Weight (g/mol): 480.90 MDL Number: MFCD03427564 InChI Key: VLUQVUWDECWBTL-UQVCFKGQSA-N PubChem CID: 54706018 IUPAC Name: (1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium chloride SMILES: [Cl-].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H]([NH+](C)C)C(=O)\C(=C(/N)O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12
| PubChem CID | 54706018 |
|---|---|
| CAS | 10592-13-9 |
| Molecular Weight (g/mol) | 480.90 |
| MDL Number | MFCD03427564 |
| SMILES | [Cl-].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H]([NH+](C)C)C(=O)\C(=C(/N)O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12 |
| IUPAC Name | (1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium chloride |
| InChI Key | VLUQVUWDECWBTL-UQVCFKGQSA-N |
| Molecular Formula | C22H25ClN2O8 |
Penicillin G potassium salt, 100 mg/mL in distilled water, sterile-filtered, Thermo Scientific™
CAS: 113-98-4 Molecular Formula: C33H36ClKN4O4S2 Molecular Weight (g/mol): 691.34 MDL Number: MFCD00036193 InChI Key: HTQQVOYPSGNVPA-HBRCYENSSA-M PubChem CID: 23664709 ChEBI: CHEBI:7963 IUPAC Name: potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate SMILES: [K+].CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(Cl)C=C12.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O
| PubChem CID | 23664709 |
|---|---|
| CAS | 113-98-4 |
| Molecular Weight (g/mol) | 691.34 |
| ChEBI | CHEBI:7963 |
| MDL Number | MFCD00036193 |
| SMILES | [K+].CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(Cl)C=C12.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O |
| IUPAC Name | potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| InChI Key | HTQQVOYPSGNVPA-HBRCYENSSA-M |
| Molecular Formula | C33H36ClKN4O4S2 |
Thermo Scientific Chemicals Actinomycin D, 93%
CAS: 50-76-0 Molecular Formula: C62H86N12O16 Molecular Weight (g/mol): 1255.438 MDL Number: MFCD00005033 InChI Key: RJURFGZVJUQBHK-HUZQGMAJSA-N Synonym: Dactinomycin PubChem CID: 131954673 IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4, SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
| PubChem CID | 131954673 |
|---|---|
| CAS | 50-76-0 |
| Molecular Weight (g/mol) | 1255.438 |
| MDL Number | MFCD00005033 |
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C |
| Synonym | Dactinomycin |
| IUPAC Name | 2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4, |
| InChI Key | RJURFGZVJUQBHK-HUZQGMAJSA-N |
| Molecular Formula | C62H86N12O16 |
Thermo Scientific Chemicals Neomycin sulfate, 50 mg/ml in distilled water, sterile-filtered
CAS: 1405-10-3 Molecular Formula: C23H48N6O17S Molecular Weight (g/mol): 712.72 MDL Number: MFCD29905465 InChI Key: OIXVKQDWLFHVGR-DJUBFIBWNA-N PubChem CID: 124080932 IUPAC Name: 5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol; sulfuric acid SMILES: OS(O)(=O)=O.NCC1OC(O[C@@H]2[C@@H](CO)O[C@@H](OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O
| PubChem CID | 124080932 |
|---|---|
| CAS | 1405-10-3 |
| Molecular Weight (g/mol) | 712.72 |
| MDL Number | MFCD29905465 |
| SMILES | OS(O)(=O)=O.NCC1OC(O[C@@H]2[C@@H](CO)O[C@@H](OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O |
| IUPAC Name | 5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol; sulfuric acid |
| InChI Key | OIXVKQDWLFHVGR-DJUBFIBWNA-N |
| Molecular Formula | C23H48N6O17S |
Hygromycin B, 50 mg/ml in distilled water, sterile-filtered
CAS: 31282-04-9 Molecular Formula: C20H37N3O13 Molecular Weight (g/mol): 527.524 MDL Number: MFCD06795479 InChI Key: GRRNUXAQVGOGFE-BBMONYMYSA-N PubChem CID: 134129613 IUPAC Name: (3'S,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-[(1R,2S,3R,5S,6S)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol SMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N
| PubChem CID | 134129613 |
|---|---|
| CAS | 31282-04-9 |
| Molecular Weight (g/mol) | 527.524 |
| MDL Number | MFCD06795479 |
| SMILES | CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N |
| IUPAC Name | (3'S,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-[(1R,2S,3R,5S,6S)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol |
| InChI Key | GRRNUXAQVGOGFE-BBMONYMYSA-N |
| Molecular Formula | C20H37N3O13 |
Thermo Scientific Chemicals Doripenem hydrate
CAS: 1820954-21-9 Molecular Formula: C15H24N4O6S2 Molecular Weight (g/mol): 420.50 MDL Number: MFCD09749887 InChI Key: AVAACINZEOAHHE-SEIFCSKWNA-N IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid SMILES: [H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
| CAS | 1820954-21-9 |
|---|---|
| Molecular Weight (g/mol) | 420.50 |
| MDL Number | MFCD09749887 |
| SMILES | [H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |
| IUPAC Name | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| InChI Key | AVAACINZEOAHHE-SEIFCSKWNA-N |
| Molecular Formula | C15H24N4O6S2 |
Amoxicillin sodium salt, 100mg/mL in distilled water, sterile-filtered, Thermo Scientific™
CAS: 34642-77-8 Molecular Formula: C16H18N3NaO5S Molecular Weight (g/mol): 387.386 MDL Number: MFCD08063910 InChI Key: BYHDFCISJXIVBV-ZONSQSGVSA-M PubChem CID: 131632470 IUPAC Name: sodium;(2S,5R,6S)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]
| PubChem CID | 131632470 |
|---|---|
| CAS | 34642-77-8 |
| Molecular Weight (g/mol) | 387.386 |
| MDL Number | MFCD08063910 |
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+] |
| IUPAC Name | sodium;(2S,5R,6S)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| InChI Key | BYHDFCISJXIVBV-ZONSQSGVSA-M |
| Molecular Formula | C16H18N3NaO5S |
Cephalexin, 50mg/mL in 1M ammonium hydroxide, sterile-filtered, Thermo Scientific™
CAS: 15686-71-2 Molecular Formula: C16H20ClN3O5S Molecular Weight (g/mol): 401.862 MDL Number: MFCD00167148 InChI Key: YHJDZIQOCSDIQU-OEDJVVDHSA-N PubChem CID: 57515946 IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride;hydrate SMILES: [H+].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.[Cl-]
| PubChem CID | 57515946 |
|---|---|
| CAS | 15686-71-2 |
| Molecular Weight (g/mol) | 401.862 |
| MDL Number | MFCD00167148 |
| SMILES | [H+].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.[Cl-] |
| IUPAC Name | (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride;hydrate |
| InChI Key | YHJDZIQOCSDIQU-OEDJVVDHSA-N |
| Molecular Formula | C16H20ClN3O5S |