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

Systemtic Name: (3S)-3-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3S)-3-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3S)-3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3S)-3-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c1-10-3-5-11(6-4-10)13(8-15(20)21)18-16(22)14-7-12(17)9-19(14)2/h3-7,9,13H,8H2,1-2H3,(H,18,22)(H,20,21)/t13-/m0/s1