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

Systemtic Name: 2-[[4-[2-(1H-imidazol-5-yl)ethanoylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-(1H-imidazol-5-yl)acetyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[2-(1H-imidazol-5-yl)acetyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(1H-imidazol-5-yl)acetyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4S/c1-32-10-9-20(23(30)31)27-22(29)18-8-7-16(11-19(18)15-5-3-2-4-6-15)26-21(28)12-17-13-24-14-25-17/h2-8,11,13-14,20H,9-10,12H2,1H3,(H,24,25)(H,26,28)(H,27,29)(H,30,31)