lithium 2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 4-(methylthio)-2-[[2-(o-tolyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]butyrate Formula: C30H35LiN2O3S MolecularWeight: 510.6165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C30H36N2O3S.Li/c1-22-10-6-7-14-25(22)27-20-24(21-31-18-9-8-13-23-11-4-3-5-12-23)15-16-26(27)29(33)32-28(30(34)35)17-19-36-2;/h3-7,10-12,14-16,20,28,31H,8-9,13,17-19,21H2,1-2H3,(H,32,33)(H,34,35);/q;+1/p-1