2-[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-(1H-imidazol-5-yl)ethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-30-12-11-21(23(28)29)26-22(27)19-10-8-16(7-9-18-14-24-15-25-18)13-20(19)17-5-3-2-4-6-17/h2-6,8,10,13-15,21H,7,9,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)