5-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclohexyl(oxo)methyl]-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C32H33NO6S MolecularWeight: 559.67252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6C

InChI

InChI=1S/C32H33NO6S/c1-18-8-6-7-11-22(18)29(34)25-26(30-19(2)14-15-40-30)28(32(36)37)33(31(35)20-9-4-3-5-10-20)27(25)21-12-13-23-24(16-21)39-17-38-23/h6-8,11-16,20,25-28H,3-5,9-10,17H2,1-2H3,(H,36,37)