2-[[4-[3-(1H-imidazol-5-yl)propanoylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[3-(1H-imidazol-5-yl)propanoylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-(1H-imidazol-5-yl)propanoylamino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[3-(1H-imidazol-5-yl)propanoylamino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-(1H-imidazol-5-yl)propanoylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c1-33-12-11-21(24(31)32)28-23(30)19-9-7-17(13-20(19)16-5-3-2-4-6-16)27-22(29)10-8-18-14-25-15-26-18/h2-7,9,13-15,21H,8,10-12H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32)