6-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]hexanoic acid Openeye Name: 6-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]hexanoic acid CAS Name: 6-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid Traditional Name: 6-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]hexanoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-11-13(22-15(17-11)18-9-5-6-10-18)14(21)16-8-4-2-3-7-12(19)20/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,21)(H,19,20)