2-[[4-[[4-methoxy-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[4-methoxy-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[2-(benzyloxymethyl)-4-methoxy-pyrrolidin-1-yl]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[4-methoxy-2-(phenylmethoxymethyl)-1-pyrrolidinyl]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[4-methoxy-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[2-(benzoxymethyl)-4-methoxy-pyrrolidino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C33H40N2O7S MolecularWeight: 608.7449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CC(CC3COCC4=CC=CC=C4)OC)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CC(CC3COCC4=CC=CC=C4)OC)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C33H40N2O7S/c1-23-9-7-8-12-28(23)30-17-25(13-14-29(30)32(36)34-31(33(37)38)15-16-43(3,39)40)19-35-20-27(41-2)18-26(35)22-42-21-24-10-5-4-6-11-24/h4-14,17,26-27,31H,15-16,18-22H2,1-3H3,(H,34,36)(H,37,38)