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

Systemtic Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-7-9(10(16)13-8(2)11(17)18)19-12(14-7)15-5-3-4-6-15/h3-6,8H,1-2H3,(H,13,16)(H,17,18)/t8-/m0/s1