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

Systemtic Name: 3-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]propanoic acid CAS Name: 3-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-8-10(11(18)13-5-4-9(16)17)19-12(14-8)15-6-2-3-7-15/h2-3,6-7H,4-5H2,1H3,(H,13,18)(H,16,17)