methyl 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CSCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CSCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S2/c1-30-24(29)22(10-11-31-2)27-23(28)20-9-8-17(14-32-15-19-13-25-16-26-19)12-21(20)18-6-4-3-5-7-18/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3,(H,25,26)(H,27,28)