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

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c1-30-10-9-21(23(28)29)26-22(27)19-8-7-16(13-31-14-18-12-24-15-25-18)11-20(19)17-5-3-2-4-6-17/h2-8,11-12,15,21H,9-10,13-14H2,1H3,(H,24,25)(H,26,27)(H,28,29)