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

Systemtic Name: (3R)-3-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3R)-3-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3R)-3-[[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3R)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3R)-3-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C18H20N2O4/c1-11-4-6-13(7-5-11)15(9-17(22)23)19-18(24)16-8-14(12(2)21)10-20(16)3/h4-8,10,15H,9H2,1-3H3,(H,19,24)(H,22,23)/t15-/m1/s1