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

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(3-phenylpropanoylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-phenylpropanoylamino)benzoyl]amino]butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[(1-oxo-3-phenylpropyl)amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(3-phenylpropanoylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-(hydrocinnamoylamino)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C28H29LiN2O4S MolecularWeight: 496.54686

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)CCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)CCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C28H30N2O4S.Li/c1-19-8-6-7-11-22(19)24-18-21(29-26(31)15-12-20-9-4-3-5-10-20)13-14-23(24)27(32)30-25(28(33)34)16-17-35-2;/h3-11,13-14,18,25H,12,15-17H2,1-2H3,(H,29,31)(H,30,32)(H,33,34);/q;+1/p-1