(6R,7R)-7-[[(2Z)-2-(Carboxymethoxyamino)-2-Pyrazol-3-Ylidene-Acetyl]Amino]-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 84080-55-7]

Identification

• Name: (6R,7R)-7-[[(2Z)-2-(Carboxymethoxyamino)-2-Pyrazol-3-Ylidene-Acetyl]Amino]-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[[(2Z)-2-(Carboxymethyloxyamino)-2-Pyrazol-3-Ylidene-Acetyl]Amino]-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2Z)-2-(Carboxymethyloxyamino)-1-Oxo-2-(3-Pyrazolylidene)Ethyl]Amino]-3-[[(1-Methyl-5-Tetrazolyl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2Z)-2-(Carboxymethyloxyamino)-2-Pyrazol-3-Ylidene-Acetyl]Amino]-8-Keto-3-[[(1-Methyltetrazol-5-Yl)Thio]Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₇H₁₇N₉O₇S₂
• Molecular Weight: 523.50
• CAS Registry Number: 84080-55-7
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)\C(NOCC(O)=O)=C/3N=NC=C3)C(O)=O)CSC4=NN=N[N]4C
• InChI: 1S/C17H17N9O7S2/c1-25-17(21-23-24-25)35-6-7-5-34-15-11(14(30)26(15)12(7)16(31)32)19-13(29)10(8-2-3-18-20-8)22-33-4-9(27)28/h2-3,11,15,22H,4-6H2,1H3,(H,19,29)(H,27,28)(H,31,32)/b10-8-/t11-,15-/m1/s1
• InChIKey: FDKJLXXPKTZQHJ-TVAQGKLQSA-N

Properties

• Density: 1.978g/cm³ (Cal.)