(2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-4-(methylthio)butyrate Formula: C14H16N3O3S2- MolecularWeight: 338.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3S2/c1-9-11(22-14(15-9)17-6-3-4-7-17)12(18)16-10(13(19)20)5-8-21-2/h3-4,6-7,10H,5,8H2,1-2H3,(H,16,18)(H,19,20)/p-1/t10-/m0/s1