lithium 2-[[4-(2-isoquinolin-4-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[4-(2-isoquinolin-4-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 2-[[4-[2-(4-isoquinolyl)ethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: lithium 2-[[[4-[2-(4-isoquinolinyl)ethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[4-(2-isoquinolin-4-ylethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 2-[[4-[2-(4-isoquinolyl)ethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H30LiN2O3S+ MolecularWeight: 505.5768

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CN=CC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CN=CC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H30N2O3S.Li/c1-20-7-3-5-9-24(20)27-17-21(11-13-23-19-31-18-22-8-4-6-10-25(22)23)12-14-26(27)29(33)32-28(30(34)35)15-16-36-2;/h3-10,12,14,17-19,28H,11,13,15-16H2,1-2H3,(H,32,33)(H,34,35);/q;+1