lithium 2-[[2-(2-methylphenyl)-4-(3-phenylpropoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(3-phenylpropoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-phenylpropoxymethyl)benzoyl]amino]butanoic acid CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-(3-phenylpropoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(3-phenylpropoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-phenylpropoxymethyl)benzoyl]amino]butyric acid Formula: C29H33LiNO4S+ MolecularWeight: 498.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H33NO4S.Li/c1-21-9-6-7-13-24(21)26-19-23(20-34-17-8-12-22-10-4-3-5-11-22)14-15-25(26)28(31)30-27(29(32)33)16-18-35-2;/h3-7,9-11,13-15,19,27H,8,12,16-18,20H2,1-2H3,(H,30,31)(H,32,33);/q;+1