lithium 2-[[4-(3-cyclohexylpropyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-(3-cyclohexylpropyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-(3-cyclohexylpropyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-(3-cyclohexylpropyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-(3-cyclohexylpropyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-(3-cyclohexylpropyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C28H36LiNO3S MolecularWeight: 473.59634

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC3CCCCC3)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC3CCCCC3)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C28H37NO3S.Li/c1-20-9-6-7-14-23(20)25-19-22(13-8-12-21-10-4-3-5-11-21)15-16-24(25)27(30)29-26(28(31)32)17-18-33-2;/h6-7,9,14-16,19,21,26H,3-5,8,10-13,17-18H2,1-2H3,(H,29,30)(H,31,32);/q;+1/p-1