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

Systemtic Name: 2-[[4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-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)C(=O)C(CC2=CN=CN2)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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