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

Systemtic Name: methyl 2-[[4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-33-25(32)22(10-11-34-2)29-24(31)19-9-8-17(12-20(19)16-6-4-3-5-7-16)23(30)21(26)13-18-14-27-15-28-18/h3-9,12,14-15,21-22H,10-11,13,26H2,1-2H3,(H,27,28)(H,29,31)