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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclopropyl(oxo)methyl]-2-methyl-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2-methyl-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C30H29NO6S MolecularWeight: 531.61936

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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=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6C

InChI

InChI=1S/C30H29NO6S/c1-16-6-4-5-7-20(16)26(32)23-24(27-17(2)12-13-38-27)30(3,29(34)35)31(28(33)18-8-9-18)25(23)19-10-11-21-22(14-19)37-15-36-21/h4-7,10-14,18,23-25H,8-9,15H2,1-3H3,(H,34,35)