lithium 2-[[2-(2-methylphenyl)-4-(nonan-5-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(nonan-5-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-(1-butylpentoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-(nonan-5-yloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(nonan-5-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-(1-butylpentoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H41LiNO4S+ MolecularWeight: 506.64614

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC(CCCC)OCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

[Li+].CCCCC(CCCC)OCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C29H41NO4S.Li/c1-5-7-12-23(13-8-6-2)34-20-22-15-16-25(26(19-22)24-14-10-9-11-21(24)3)28(31)30-27(29(32)33)17-18-35-4;/h9-11,14-16,19,23,27H,5-8,12-13,17-18,20H2,1-4H3,(H,30,31)(H,32,33);/q;+1