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

Systemtic Name: 2-[[4-[[4-ethyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-(benzyloxymethyl)-4-ethyl-pyrrolidin-1-yl]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[4-ethyl-2-(phenylmethoxymethyl)-1-pyrrolidinyl]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[4-ethyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(benzoxymethyl)-4-ethyl-pyrrolidino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H42N2O4S MolecularWeight: 574.77328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(N(C1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C)COCC4=CC=CC=C4

Isomeric SMILES

CCC1CC(N(C1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C)COCC4=CC=CC=C4

InChI

InChI=1S/C34H42N2O4S/c1-4-25-18-28(23-40-22-26-11-6-5-7-12-26)36(20-25)21-27-14-15-30(31(19-27)29-13-9-8-10-24(29)2)33(37)35-32(34(38)39)16-17-41-3/h5-15,19,25,28,32H,4,16-18,20-23H2,1-3H3,(H,35,37)(H,38,39)