2-azanyl-2-[4-[4-(1-methylimidazol-4-yl)-3-oxidanylidene-but-1-ynyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[4-(1-methylimidazol-4-yl)-3-oxidanylidene-but-1-ynyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[4-(1-methylimidazol-4-yl)-3-oxo-but-1-ynyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[4-(1-methyl-4-imidazolyl)-3-oxobut-1-ynyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[4-(1-methylimidazol-4-yl)-3-oxobut-1-ynyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[3-keto-4-(1-methylimidazol-4-yl)but-1-ynyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(=O)C#CC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(N=C1)CC(=O)C#CC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O4S/c1-29-16-20(28-17-29)15-21(30)10-8-18-9-11-22(23(14-18)19-6-4-3-5-7-19)24(31)26(27,25(32)33)12-13-34-2/h3-7,9,11,14,16-17H,12-13,15,27H2,1-2H3,(H,32,33)