lithium 2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-(benzyloxymethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-(benzoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H29LiNO4S+ MolecularWeight: 470.52946

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H29NO4S.Li/c1-19-8-6-7-11-22(19)24-16-21(18-32-17-20-9-4-3-5-10-20)12-13-23(24)26(29)28-25(27(30)31)14-15-33-2;/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,29)(H,30,31);/q;+1