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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclopropyl(oxo)methyl]-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H27NO6S/c1-15-5-3-4-6-19(15)26(31)22-23(27-16(2)11-12-37-27)25(29(33)34)30(28(32)17-7-8-17)24(22)18-9-10-20-21(13-18)36-14-35-20/h3-6,9-13,17,22-25H,7-8,14H2,1-2H3,(H,33,34)