lithium 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C28H37LiN2O3S MolecularWeight: 488.61098

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

[Li+].CN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C28H38N2O3S.Li/c1-30(17-15-21-9-5-3-6-10-21)20-22-13-14-24(25(19-22)23-11-7-4-8-12-23)27(31)29-26(28(32)33)16-18-34-2;/h4,7-8,11-14,19,21,26H,3,5-6,9-10,15-18,20H2,1-2H3,(H,29,31)(H,32,33);/q;+1/p-1