(3R)-3-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: (3R)-3-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3R)-3-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3R)-3-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3R)-3-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3R)-3-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C17H18N2O4/c1-10-3-5-12(6-4-10)14(8-16(21)22)19-17(23)15-7-13(9-18-15)11(2)20/h3-7,9,14,18H,8H2,1-2H3,(H,19,23)(H,21,22)/t14-/m1/s1