lithium 2-[[2-(2-methylphenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]oxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]oxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-[(1-tert-butoxycarbonyl-4-phenyl-4-piperidyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinyl]oxymethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidin-4-yl]oxymethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-[(1-tert-butoxycarbonyl-4-phenyl-4-piperidyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C36H44LiN2O6S+ MolecularWeight: 639.75036

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COC3(CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COC3(CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C36H44N2O6S.Li/c1-25-11-9-10-14-28(25)30-23-26(15-16-29(30)32(39)37-31(33(40)41)17-22-45-5)24-43-36(27-12-7-6-8-13-27)18-20-38(21-19-36)34(42)44-35(2,3)4;/h6-16,23,31H,17-22,24H2,1-5H3,(H,37,39)(H,40,41);/q;+1