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

Systemtic Name: lithium 2-[[4-[[2-hydroxyethyl-(phenylmethyl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[[benzyl(2-hydroxyethyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[[2-hydroxyethyl-(phenylmethyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[[benzyl(2-hydroxyethyl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[[benzyl(2-hydroxyethyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C28H31LiN2O4S MolecularWeight: 498.56274

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CN(CCO)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[Li+].CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CN(CCO)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4S.Li/c1-35-17-14-26(28(33)34)29-27(32)24-13-12-22(18-25(24)23-10-6-3-7-11-23)20-30(15-16-31)19-21-8-4-2-5-9-21;/h2-13,18,26,31H,14-17,19-20H2,1H3,(H,29,32)(H,33,34);/q;+1/p-1