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

Systemtic Name: 2-[[3-(butanoylamino)-4-(1H-imidazol-5-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-(butanoylamino)-4-(1H-imidazol-5-yl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-yl)-3-(1-oxobutylamino)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-(butanoylamino)-4-(1H-imidazol-5-yl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-butyramido-4-(1H-imidazol-5-yl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)O)C3=CN=CN3

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)O)C3=CN=CN3

InChI

InChI=1S/C25H28N4O4S/c1-3-7-21(30)29-23-17(20-14-26-15-27-20)10-11-18(22(23)16-8-5-4-6-9-16)24(31)28-19(25(32)33)12-13-34-2/h4-6,8-11,14-15,19H,3,7,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)(H,32,33)