2-azanyl-4-(1-methylimidazol-4-yl)-4-methylsulfanyl-3-oxidanylidene-2-(2-phenylphenyl)carbonyl-oct-5-ynoic acid

Systemtic Name: 2-azanyl-4-(1-methylimidazol-4-yl)-4-methylsulfanyl-3-oxidanylidene-2-(2-phenylphenyl)carbonyl-oct-5-ynoic acid Openeye Name: 2-amino-4-(1-methylimidazol-4-yl)-4-methylsulfanyl-3-oxo-2-(2-phenylbenzoyl)oct-5-ynoic acid CAS Name: 2-amino-4-(1-methyl-4-imidazolyl)-4-(methylthio)-3-oxo-2-[oxo-(2-phenylphenyl)methyl]-5-octynoic acid IUPAC Name: 2-amino-4-(1-methylimidazol-4-yl)-4-methylsulfanyl-3-oxo-2-(2-phenylbenzoyl)oct-5-ynoic acid Traditional Name: 2-amino-3-keto-4-(1-methylimidazol-4-yl)-4-(methylthio)-2-(2-phenylbenzoyl)oct-5-ynoic acid Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CN(C=N1)C)(C(=O)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N)SC

Isomeric SMILES

CCC#CC(C1=CN(C=N1)C)(C(=O)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N)SC

InChI

InChI=1S/C26H25N3O4S/c1-4-5-15-25(34-3,21-16-29(2)17-28-21)23(31)26(27,24(32)33)22(30)20-14-10-9-13-19(20)18-11-7-6-8-12-18/h6-14,16-17H,4,27H2,1-3H3,(H,32,33)