(6R,7R)-7-[[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-[(E)-2-[[5,6-Dioxo-4-(2-Oxoethyl)-1H-1,2,4-Triazin-3-Yl]Sulfanyl]Ethenyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 77360-52-2]

Identification

• Name: (6R,7R)-7-[[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-[(E)-2-[[5,6-Dioxo-4-(2-Oxoethyl)-1H-1,2,4-Triazin-3-Yl]Sulfanyl]Ethenyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-[(E)-2-[[5,6-Dioxo-4-(2-Oxoethyl)-1H-1,2,4-Triazin-3-Yl]Sulfanyl]Vinyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2Z)-2-(2-Amino-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-3-[(E)-2-[[5,6-Dioxo-4-(2-Oxoethyl)-1H-1,2,4-Triazin-3-Yl]Thio]Vinyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-[(E)-2-[[5,6-Diketo-4-(2-Ketoethyl)-1H-1,2,4-Triazin-3-Yl]Thio]Vinyl]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₀H₁₈N₈O₈S₃
• Molecular Weight: 594.59
• CAS Registry Number: 77360-52-2
• SMILES: [C@@H]23N(C(=C(\C=C\SC1=NNC(C(N1CC=O)=O)=O)CS2)C(O)=O)C(=O)[C@H]3NC(C(/C4=CSC(=N4)N)=N\OC)=O
• InChI: 1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1
• InChIKey: WJXAHFZIHLTPFR-JLRJEBFFSA-N

Properties

• Density: 1.907g/cm³ (Cal.)