lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H39LiNO4S+ MolecularWeight: 504.63026

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H39NO4S.Li/c1-21-9-6-7-13-24(21)26-19-23(20-34-17-8-12-22-10-4-3-5-11-22)14-15-25(26)28(31)30-27(29(32)33)16-18-35-2;/h6-7,9,13-15,19,22,27H,3-5,8,10-12,16-18,20H2,1-2H3,(H,30,31)(H,32,33);/q;+1