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

Systemtic Name: 2-azanyl-2-[4-[(E)-2-(1H-imidazol-5-yl)ethenyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[(E)-2-(1H-imidazol-5-yl)vinyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[(E)-2-(1H-imidazol-5-yl)ethenyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[(E)-2-(1H-imidazol-5-yl)ethenyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[(E)-2-(1H-imidazol-5-yl)vinyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)C=CC2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)/C=C/C2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H23N3O3S/c1-30-12-11-23(24,22(28)29)21(27)19-10-8-16(7-9-18-14-25-15-26-18)13-20(19)17-5-3-2-4-6-17/h2-10,13-15H,11-12,24H2,1H3,(H,25,26)(H,28,29)/b9-7+