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

Systemtic Name: 4-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]butanoic acid Openeye Name: 4-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]butanoic acid CAS Name: 4-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid Traditional Name: 4-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-9-11(12(19)14-6-4-5-10(17)18)20-13(15-9)16-7-2-3-8-16/h2-3,7-8H,4-6H2,1H3,(H,14,19)(H,17,18)