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

Systemtic Name: lithium 2-[[4-[[bis(phenylmethyl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[(dibenzylamino)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[[bis(phenylmethyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[(dibenzylamino)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[(dibenzylamino)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C33H33LiN2O3S MolecularWeight: 544.63272

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[Li+].CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H34N2O3S.Li/c1-39-20-19-31(33(37)38)34-32(36)29-18-17-27(21-30(29)28-15-9-4-10-16-28)24-35(22-25-11-5-2-6-12-25)23-26-13-7-3-8-14-26;/h2-18,21,31H,19-20,22-24H2,1H3,(H,34,36)(H,37,38);/q;+1/p-1