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

Systemtic Name: (2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]butyric acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-8(2)10(13(19)20)16-12(18)11-9(3)15-14(21-11)17-6-4-5-7-17/h4-8,10H,1-3H3,(H,16,18)(H,19,20)/t10-/m0/s1