2-azanyl-2-[4-[3-(1H-imidazol-5-yl)-3-oxidanylidene-prop-1-ynyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[3-(1H-imidazol-5-yl)-3-oxidanylidene-prop-1-ynyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[3-(1H-imidazol-5-yl)-3-oxo-prop-1-ynyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[3-(1H-imidazol-5-yl)-3-oxoprop-1-ynyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[3-(1H-imidazol-5-yl)-3-oxoprop-1-ynyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[3-(1H-imidazol-5-yl)-3-keto-prop-1-ynyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-32-12-11-24(25,23(30)31)22(29)18-9-7-16(8-10-21(28)20-14-26-15-27-20)13-19(18)17-5-3-2-4-6-17/h2-7,9,13-15H,11-12,25H2,1H3,(H,26,27)(H,30,31)