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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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