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

Systemtic Name: 1-cyclopropylcarbonyl-2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(cyclopropanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[cyclopropyl(oxo)methyl]-2-methyl-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(cyclopropanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(cyclopropanecarbonyl)-2-methyl-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)-4-o-toluoyl-proline Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)C3CC3)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)C3CC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C29H28N2O6S/c1-16-7-4-5-10-21(16)25(32)22-23(26-17(2)13-14-38-26)29(3,28(34)35)30(27(33)18-11-12-18)24(22)19-8-6-9-20(15-19)31(36)37/h4-10,13-15,18,22-24H,11-12H2,1-3H3,(H,34,35)