(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Hydroxyiminoacetyl]Amino]-8-Oxo-3-(2H-Triazol-4-Ylsulfanylmethylsulfanyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 140128-74-1]

Identification

• Name: (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Hydroxyiminoacetyl]Amino]-8-Oxo-3-(2H-Triazol-4-Ylsulfanylmethylsulfanyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Hydroxyimino-Acetyl]Amino]-8-Oxo-3-(2H-Triazol-4-Ylsulfanylmethylsulfanyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-Hydroxyimino-1-Oxoethyl]Amino]-8-Oxo-3-[(2H-Triazol-4-Ylthio)Methylthio]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Hydroximino-Acetyl]Amino]-8-Keto-3-[(2H-Triazol-4-Ylthio)Methylthio]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₄N₈O₅S₄
• Molecular Weight: 514.57
• CAS Registry Number: 140128-74-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/O)/C3=CSC(=N3)N)C(O)=O)SCSC4=N[NH]N=C4
• InChI: 1S/C15H14N8O5S4/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22)/b21-8+/t9-,13-/m1/s1
• InChIKey: UEQVTKSAEXANEZ-DKQCJYJNSA-N

Properties

• Density: 2.144g/cm³ (Cal.)