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

Systemtic Name: 2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-31-12-10-21(23(29)30)27-22(28)19-8-7-17(25-11-9-18-14-24-15-26-18)13-20(19)16-5-3-2-4-6-16/h2-8,13-15,21,25H,9-12H2,1H3,(H,24,26)(H,27,28)(H,29,30)