2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-2-methyl-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-methyl-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)-4-o-toluoyl-1-(phenylcarbamoyl)proline Formula: C32H29N3O6S MolecularWeight: 583.65416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C32H29N3O6S/c1-19-10-7-8-15-24(19)28(36)25-26(29-20(2)16-17-42-29)32(3,30(37)38)34(31(39)33-22-12-5-4-6-13-22)27(25)21-11-9-14-23(18-21)35(40)41/h4-18,25-27H,1-3H3,(H,33,39)(H,37,38)