2-[[2-(2-methylphenyl)-4-[[2-(methylsulfonylmethyl)-5-(phenylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[[2-(methylsulfonylmethyl)-5-(phenylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[2-benzyl-5-(methylsulfonylmethyl)pyrrolidin-1-yl]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[2-(methylsulfonylmethyl)-5-(phenylmethyl)-1-pyrrolidinyl]methyl]phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[2-benzyl-5-(methylsulfonylmethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[2-benzyl-5-(mesylmethyl)pyrrolidino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C33H40N2O7S2 MolecularWeight: 640.8099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3C(CCC3CS(=O)(=O)C)CC4=CC=CC=C4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3C(CCC3CS(=O)(=O)C)CC4=CC=CC=C4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C33H40N2O7S2/c1-23-9-7-8-12-28(23)30-20-25(13-16-29(30)32(36)34-31(33(37)38)17-18-43(2,39)40)21-35-26(19-24-10-5-4-6-11-24)14-15-27(35)22-44(3,41)42/h4-13,16,20,26-27,31H,14-15,17-19,21-22H2,1-3H3,(H,34,36)(H,37,38)