lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(o-tolyl)benzoyl]-methyl-amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]-methylamino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(2-methylphenyl)benzoyl]-methylamino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-(3-cyclohexylpropoxymethyl)-2-(o-tolyl)benzoyl]-methyl-amino]-4-(methylthio)butyric acid Formula: C30H41LiNO4S+ MolecularWeight: 518.65684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO4S.Li/c1-22-10-7-8-14-25(22)27-20-24(21-35-18-9-13-23-11-5-4-6-12-23)15-16-26(27)29(32)31(2)28(30(33)34)17-19-36-3;/h7-8,10,14-16,20,23,28H,4-6,9,11-13,17-19,21H2,1-3H3,(H,33,34);/q;+1