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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)-1-morpholin-4-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-1-[4-morpholinyl(oxo)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(3-methyl-2-thienyl)-1-(morpholine-4-carbonyl)-4-o-toluoyl-proline Formula: C30H30N2O7S MolecularWeight: 562.6334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)N3CCOCC3)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)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6C

InChI

InChI=1S/C30H30N2O7S/c1-17-5-3-4-6-20(17)27(33)23-24(28-18(2)9-14-40-28)26(29(34)35)32(30(36)31-10-12-37-13-11-31)25(23)19-7-8-21-22(15-19)39-16-38-21/h3-9,14-15,23-26H,10-13,16H2,1-2H3,(H,34,35)