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

Systemtic Name: 2-[2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]acetyl]amino]acetic acid Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S/c1-8-11(22-13(16-8)17-4-2-3-5-17)12(21)15-6-9(18)14-7-10(19)20/h2-5H,6-7H2,1H3,(H,14,18)(H,15,21)(H,19,20)