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

Systemtic Name: 2-[[4-[(2-ethyl-4-methoxy-pyrrolidin-1-yl)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-ethyl-4-methoxy-pyrrolidin-1-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(2-ethyl-4-methoxy-1-pyrrolidinyl)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-ethyl-4-methoxypyrrolidin-1-yl)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(2-ethyl-4-methoxy-pyrrolidino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C)OC

Isomeric SMILES

CCC1CC(CN1CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C)OC

InChI

InChI=1S/C27H36N2O4S/c1-5-20-15-21(33-3)17-29(20)16-19-10-11-23(24(14-19)22-9-7-6-8-18(22)2)26(30)28-25(27(31)32)12-13-34-4/h6-11,14,20-21,25H,5,12-13,15-17H2,1-4H3,(H,28,30)(H,31,32)