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

Systemtic Name: 2-azanyl-2-[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-30-14-11-23(24,22(28)29)21(27)18-9-7-16(8-10-20-25-12-13-26-20)15-19(18)17-5-3-2-4-6-17/h2-7,9,12-13,15H,11,14,24H2,1H3,(H,25,26)(H,28,29)