sodium 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: sodium 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: sodium 2-[[4-(2-imidazol-1-ylethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: sodium 2-[[[4-[2-(1-imidazolyl)ethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: sodium 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: sodium 2-[[4-(2-imidazol-1-ylethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C24H26N3NaO3S MolecularWeight: 459.53631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCN3C=CN=C3)C(=O)NC(CCSC)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCN3C=CN=C3)C(=O)NC(CCSC)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H27N3O3S.Na/c1-17-5-3-4-6-19(17)21-15-18(9-12-27-13-11-25-16-27)7-8-20(21)23(28)26-22(24(29)30)10-14-31-2;/h3-8,11,13,15-16,22H,9-10,12,14H2,1-2H3,(H,26,28)(H,29,30);/q;+1/p-1