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

Systemtic Name: 2-azanyl-2-[4-[1H-imidazol-5-yl(methoxy)methyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[1H-imidazol-5-yl(methoxy)methyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[1H-imidazol-5-yl(methoxy)methyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[1H-imidazol-5-yl(methoxy)methyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[1H-imidazol-5-yl(methoxy)methyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=C(C=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2)C3=CN=CN3

Isomeric SMILES

COC(C1=CC(=C(C=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2)C3=CN=CN3

InChI

InChI=1S/C23H25N3O4S/c1-30-20(19-13-25-14-26-19)16-8-9-17(18(12-16)15-6-4-3-5-7-15)21(27)23(24,22(28)29)10-11-31-2/h3-9,12-14,20H,10-11,24H2,1-2H3,(H,25,26)(H,28,29)