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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[[2-(phenylmethyl)-5-propyl-pyrrolidin-1-yl]methyl]phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[(2-benzyl-5-propyl-pyrrolidin-1-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[2-(phenylmethyl)-5-propyl-1-pyrrolidinyl]methyl]phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[(2-benzyl-5-propylpyrrolidin-1-yl)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[(2-benzyl-5-propyl-pyrrolidino)methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C34H42N2O5S MolecularWeight: 590.77268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(N1CC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C)CC4=CC=CC=C4

Isomeric SMILES

CCCC1CCC(N1CC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C34H42N2O5S/c1-4-10-27-16-17-28(21-25-12-6-5-7-13-25)36(27)23-26-15-18-30(31(22-26)29-14-9-8-11-24(29)2)33(37)35-32(34(38)39)19-20-42(3,40)41/h5-9,11-15,18,22,27-28,32H,4,10,16-17,19-21,23H2,1-3H3,(H,35,37)(H,38,39)