5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-morpholin-4-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-morpholin-4-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[4-morpholinyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(morpholine-4-carbonyl)-4-(2-thenoyl)proline Formula: C32H34N2O7S MolecularWeight: 590.68656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C32H34N2O7S/c1-32(2,3)21-9-6-19(7-10-21)25-26(29(35)24-5-4-16-42-24)27(20-8-11-22-23(17-20)41-18-40-22)34(28(25)30(36)37)31(38)33-12-14-39-15-13-33/h4-11,16-17,25-28H,12-15,18H2,1-3H3,(H,36,37)