(6R,7R)-3-[[2-(4-Dimethylaminophenyl)Diazenylpyridin-1-Ium-1-Yl]Methyl]-8-Oxo-7-[(2-Thiophen-2-Ylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 77449-91-3]

Identification

• Name: (6R,7R)-3-[[2-(4-Dimethylaminophenyl)Diazenylpyridin-1-Ium-1-Yl]Methyl]-8-Oxo-7-[(2-Thiophen-2-Ylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (6R,7R)-3-[[2-(4-Dimethylaminophenyl)Azopyridin-1-Ium-1-Yl]Methyl]-8-Oxo-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-3-[[2-(4-Dimethylaminophenyl)Azo-1-Pyridin-1-Iumyl]Methyl]-8-Oxo-7-[[1-Oxo-2-(2-Thienyl)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-3-[[2-(4-Dimethylaminophenyl)Azopyridin-1-Ium-1-Yl]Methyl]-8-Keto-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₇H₂₆N₆O₄S₂
• Molecular Weight: 562.66
• CAS Registry Number: 77449-91-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CS3)C([O-])=O)C[N+]5=C(N=NC4=CC=C(N(C)C)C=C4)C=CC=C5
• InChI: 1S/C27H26N6O4S2/c1-31(2)19-10-8-18(9-11-19)29-30-21-7-3-4-12-32(21)15-17-16-39-26-23(25(35)33(26)24(17)27(36)37)28-22(34)14-20-6-5-13-38-20/h3-13,23,26H,14-16H2,1-2H3,(H-,28,34,36,37)/t23-,26-/m1/s1
• InChIKey: FCHBECOAGZMTFE-ZEQKJWHPSA-N