Beta amino acids and derivatives

Alfa Aesar™ Azadibenzocyclooctyne-amine

CAS: 1255942-06-3 Molecular Formula: C18H16N2O Molecular Weight (g/mol): 276.339 MDL Number: MFCD22380759 InChI Key: OCCYFTDHSHTFER-UHFFFAOYSA-N Synonym: 3-amino-1-2-azatricyclo 10.4.0.04,9 hexadeca-1 12 ,4 9 ,5,7,13,15-hexaen-10-yn-2-yl propan-1-one PubChem CID: 77078258 SMILES: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN

D-Calcium pantothenate, 98%, ACROS Organics™

CAS: 137-08-6 Molecular Formula: C18H32CaN2O10 Molecular Weight (g/mol): 476.52 MDL Number: MFCD00002766 InChI Key: WIWQIMNDNVAWQN-UBKPKTQASA-N Synonym: beta-alanine, n-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-, calcium salt, r PubChem CID: 131847364 IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O.CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Ca]

Alfa Aesar™ Aspartame, 98%

CAS: 22839-47-0 Molecular Formula: C14H18N2O5 Molecular Weight (g/mol): 294.307 MDL Number: MFCD00002724 InChI Key: IAOZJIPTCAWIRG-QWRGUYRKSA-N Synonym: asp-phe methyl ester PubChem CID: 134601 ChEBI: CHEBI:2877 IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

β-Alanine methyl ester hydrochloride, 98%, Acros Organics™

CAS: 3196-73-4 Molecular Formula: C4H9NO2·HCl Molecular Weight (g/mol): 139.58 MDL Number: MFCD00039060 InChI Key: XPGRZDJXVKFLHQ-UHFFFAOYSA-N Synonym: 3-aminopropanoic acid methyl ester hydrochloride PubChem CID: 2734767 IUPAC Name: methyl 3-aminopropanoate;hydrochloride SMILES: COC(=O)CCN.Cl

Nipecotamide, 95%, ACROS Organics™

CAS: 4138-26-5 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.17 MDL Number: MFCD00005993 InChI Key: BVOCPVIXARZNQN-UHFFFAOYSA-N Synonym: 3-piperidine carboxamide PubChem CID: 92980 ChEBI: CHEBI:60116 IUPAC Name: piperidine-3-carboxamide SMILES: C1CC(CNC1)C(=O)N

Alfa Aesar™ D-Pantothenic acid calcium salt hydrate, 98%

CAS: 331748-07-3 Molecular Formula: C18H34CaN2O11 Molecular Weight (g/mol): 494.551 MDL Number: MFCD00002766 InChI Key: KUKRZUPDYACRAM-GXIDORRSSA-L Synonym: calcium 3-2,4-dihydroxy-3,3-dimethylbutanamido propanoate hydrate PubChem CID: 16211719 IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydrate SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Ca+2]

D-Pantothenic acid calcium salt, USP grade, MP Biomedicals™

CAS: 137-08-6 Molecular Formula: C18H34CaN2O10 Molecular Weight (g/mol): 478.552 InChI Key: WIWQIMNDNVAWQN-UBKPKTQASA-N Synonym: beta-alanine, n-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-, calcium salt, r PubChem CID: 131847364 IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O.CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Ca]

D-Pantothenic Acid Sodium Salt, Spectrum™

CAS: 867-81-2 Molecular Formula: C9H16NNaO5 Molecular Weight (g/mol): 241.22 InChI Key: ROMBWECPDOCQMZ-UHFFFAOYNA-M IUPAC Name: sodium 3-(2,4-dihydroxy-4-methylpentanamido)propanoate SMILES: [Na+].CC(C)(O)CC(O)C(=O)NCCC([O-])=O

Alfa Aesar™ beta-Alanine tert-butyl ester hydrochloride, 95%

CAS: 58620-93-2 Molecular Formula: C7H16ClNO2 Molecular Weight (g/mol): 181.66 MDL Number: MFCD00058258 InChI Key: DOMTZTVJNZKUNX-UHFFFAOYSA-N Synonym: 3-amino-propionic acid tert-butyl ester hydrochloride PubChem CID: 16218890 IUPAC Name: tert-butyl 3-aminopropanoate;hydrochloride SMILES: CC(C)(C)OC(=O)CCN.Cl

beta-Alanine tert-Butyl Ester Hydrochloride 98.0+%, TCI America™

CAS: 58620-93-2 Molecular Formula: C7H16ClNO2 Molecular Weight (g/mol): 181.66 MDL Number: MFCD00058258 InChI Key: DOMTZTVJNZKUNX-UHFFFAOYSA-N Synonym: 3-amino-propionic acid tert-butyl ester hydrochloride PubChem CID: 16218890 IUPAC Name: tert-butyl 3-aminopropanoate;hydrochloride SMILES: CC(C)(C)OC(=O)CCN.Cl

Aspartame 98.0+%, TCI America™

CAS: 22839-47-0 Molecular Formula: C14H18N2O5 Molecular Weight (g/mol): 294.307 MDL Number: MFCD00002724 InChI Key: IAOZJIPTCAWIRG-QWRGUYRKSA-N Synonym: asp-phe methyl ester PubChem CID: 134601 ChEBI: CHEBI:2877 IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

Calcium D-Pantothenate 98.0+%, TCI America™

CAS: 137-08-6 Molecular Formula: C18H34CaN2O10 Molecular Weight (g/mol): 478.552 MDL Number: MFCD00002766 InChI Key: WIWQIMNDNVAWQN-UBKPKTQASA-N Synonym: beta-alanine, n-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-, calcium salt, r PubChem CID: 131847364 IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O.CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Ca]

N-(4-Aminobenzoyl)-beta-alanine 98.0+%, TCI America™

CAS: 7377-08-4 Molecular Formula: C10H11N2O3 Molecular Weight (g/mol): 207.21 MDL Number: MFCD00009805 InChI Key: VHAXWROFYVPXMZ-UHFFFAOYSA-M Synonym: 3-4-amino-benzoylamino-propionic acid PubChem CID: 719629 IUPAC Name: 3-[(4-aminobenzoyl)amino]propanoic acid SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)O)N

DL-Isoserine 95.0+%, TCI America™

CAS: 565-71-9 Molecular Formula: C3H7NO3 Molecular Weight (g/mol): 105.093 MDL Number: MFCD00008138 InChI Key: BMYNFMYTOJXKLE-UHFFFAOYSA-N Synonym: 2-hydroxy-3-aminopropanoic acid PubChem CID: 11267 IUPAC Name: 3-amino-2-hydroxypropanoic acid SMILES: C(C(C(=O)O)O)N

β-Alanine, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 107-95-9 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 InChI Key: UCMIRNVEIXFBKS-UHFFFAOYSA-N Synonym: .beta.-alanine PubChem CID: 239 ChEBI: CHEBI:16958 IUPAC Name: 3-aminopropanoic acid SMILES: C(CN)C(=O)O

β-Alanine, 98%, Alfa Aesar™

CAS: 107-95-9 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00008200 InChI Key: UCMIRNVEIXFBKS-UHFFFAOYSA-N Synonym: .beta.-alanine PubChem CID: 239 ChEBI: CHEBI:16958 IUPAC Name: 3-aminopropanoic acid SMILES: C(CN)C(=O)O

β-Alanine, 99%, Acros Organics™

CAS: 107-95-9 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00008200 InChI Key: UCMIRNVEIXFBKS-UHFFFAOYSA-N Synonym: .beta.-alanine PubChem CID: 239 ChEBI: CHEBI:16958 IUPAC Name: 3-aminopropanoic acid SMILES: C(CN)C(=O)O

beta-Alanine 99.0+%, TCI America™

CAS: 107-95-9 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00008200 InChI Key: UCMIRNVEIXFBKS-UHFFFAOYSA-N Synonym: .beta.-alanine PubChem CID: 239 ChEBI: CHEBI:16958 IUPAC Name: 3-aminopropanoic acid SMILES: C(CN)C(=O)O

Calcium Pantothenate, U.S.P., J.T.Baker™

CAS: 137-08-6 Molecular Formula: C18H34CaN2O10 Molecular Weight (g/mol): 478.552 InChI Key: WIWQIMNDNVAWQN-UBKPKTQASA-N Synonym: beta-alanine, n-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-, calcium salt, r PubChem CID: 131847364 IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O.CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Ca]

Blasticidin-S, hydrochloride, 99.2%, For HPLC analysis, MP Biomedicals™

CAS: 2079-00-7 Molecular Formula: C17H26N8O5 Molecular Weight (g/mol): 422.446 InChI Key: CXNPLSGKWMLZPZ-XYHOJCAOSA-N Synonym: BLA-S PubChem CID: 21124837 IUPAC Name: (2R,3R,6S)-3-[[(3R)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid SMILES: CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N

L-Aspartyl-L-phenylalanine methyl ester, 98%, Acros Organics™

CAS: 22839-47-0 Molecular Formula: C14H18N2O5 Molecular Weight (g/mol): 294.3 MDL Number: MFCD00002724 InChI Key: IAOZJIPTCAWIRG-QWRGUYRKSA-N Synonym: asp-phe methyl ester PubChem CID: 134601 ChEBI: CHEBI:2877 IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

Alfa Aesar™ (S)-3-Amino-3-(4-cyanophenyl)propionic acid, 95%

CAS: 718596-77-1 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.202 MDL Number: MFCD04117832 InChI Key: JFPLLJRLBHIJPS-VIFPVBQESA-N Synonym: 3s-3-amino-3-4-cyanophenyl propanoic acid PubChem CID: 1491714 IUPAC Name: (3S)-3-amino-3-(4-cyanophenyl)propanoic acid SMILES: C1=CC(=CC=C1C#N)C(CC(=O)O)N

Alfa Aesar™ (S)-3-Amino-3-(3-fluorophenyl)propionic acid, 95%

CAS: 723284-79-5 Molecular Formula: C9H10FNO2 Molecular Weight (g/mol): 183.182 MDL Number: MFCD04113689 InChI Key: GZNJUJNKZBHINS-QMMMGPOBSA-N Synonym: 3-fluoro-l-beta-phenylalanine PubChem CID: 738043 IUPAC Name: (3S)-3-amino-3-(3-fluorophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)F)C(CC(=O)O)N

N-[3-(Trifluoromethyl)phenylsulfonyl]-beta-alanine, 96%, Alfa Aesar™

CAS: 612042-13-4 Molecular Formula: C10H10F3NO4S Molecular Weight (g/mol): 297.248 MDL Number: MFCD03620134 InChI Key: XNOHFTISYMPZGD-UHFFFAOYSA-N Synonym: 3-3-trifluoromethyl benzenesulfonamido propanoic acid PubChem CID: 697903 IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid SMILES: C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)O)C(F)(F)F

cis-2-Amino-1-cyclohexanecarboxamide, 98+%, ACROS Organics™

CAS: 115014-77-2 Molecular Formula: C7H14N2O Molecular Weight (g/mol): 142.2 MDL Number: MFCD00143979 InChI Key: DXNKJRKPVQVDJW-WDSKDSINSA-N Synonym: 1s-2beta-aminocyclohexane-1alpha-carboxamide PubChem CID: 30069041 IUPAC Name: (1S,2S)-2-aminocyclohexane-1-carboxamide SMILES: C1CCC(C(C1)C(=O)N)N

Alfa Aesar™ Ethyl 3-amino-4,4,4-trifluorobutyrate, 95%

CAS: 170804-18-9 Molecular Formula: C6H10F3NO2 Molecular Weight (g/mol): 185.146 MDL Number: MFCD01075754 InChI Key: KGUOZZWGWBBRRF-UHFFFAOYSA-N Synonym: 3-amino-4,4,4-trifluorobutyric acid ethyl ester PubChem CID: 2774311 IUPAC Name: ethyl 3-amino-4,4,4-trifluorobutanoate SMILES: CCOC(=O)CC(C(F)(F)F)N

tert-Butyl (3R)-3-amino-5-methylhexanoate, 97%, ACROS Organics™

CAS: 166023-29-6 Molecular Formula: C11H23NO2 Molecular Weight (g/mol): 201.31 MDL Number: MFCD01076257 InChI Key: WBOPVTYXLFEVGP-SECBINFHSA-N Synonym: 3r-3-amino-5-methylhexanoic acid tert-butyl ester PubChem CID: 2733825 IUPAC Name: tert-butyl (3R)-3-amino-5-methylhexanoate SMILES: CC(C)CC(CC(=O)OC(C)(C)C)N

Alfa Aesar™ (R)-3-Amino-3-(2-bromophenyl)propionic acid, 98%

CAS: 737751-95-0 Molecular Formula: C9H10BrNO2 Molecular Weight (g/mol): 244.088 MDL Number: MFCD04113641 InChI Key: OETRFEPZCAGEMK-MRVPVSSYSA-N Synonym: 3r-3-amino-3-2-bromophenyl propanoic acid PubChem CID: 7046951 IUPAC Name: (3R)-3-amino-3-(2-bromophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)C(CC(=O)O)N)Br

Alfa Aesar™ N-Benzyl-beta-alanine ethyl ester, 95%

CAS: 23583-21-3 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD00085541 InChI Key: HCTJHQFFNDLDPF-UHFFFAOYSA-N Synonym: 3-benzylamino-propionic acid ethyl ester PubChem CID: 90196 IUPAC Name: ethyl 3-(benzylamino)propanoate SMILES: CCOC(=O)CCNCC1=CC=CC=C1

tert-Butyl (3S)-3-amino-3-phenylpropanoate, 97%, ACROS Organics™

CAS: 120686-18-2 Molecular Formula: C13H19NO2 Molecular Weight (g/mol): 221.3 MDL Number: MFCD00798310 InChI Key: TYYCBAISLMKLMT-NSHDSACASA-N Synonym: benzenepropanoic acid, b-amino-, 1,1-dimethylethyl ester, bs PubChem CID: 7021093 IUPAC Name: tert-butyl (3S)-3-amino-3-phenylpropanoate SMILES: CC(C)(C)OC(=O)CC(C1=CC=CC=C1)N

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