[6R-[6alpha,7beta(R*)]]-7-[(Formyloxy)Phenylacetamido]-3-[[(1-Methyl-1H-Tetrazol-5-Yl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 57268-80-1]

Identification

• Name: [6R-[6alpha,7beta(R*)]]-7-[(Formyloxy)Phenylacetamido]-3-[[(1-Methyl-1H-Tetrazol-5-Yl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[(2-Formyloxy-2-Phenyl-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-[(2-Formyloxy-1-Oxo-2-Phenylethyl)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-[(2-Formyloxy-2-Phenyl-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: C₁₉H₁₈N₆O₆S₂
• Molecular Weight: 490.51
• CAS Registry Number: 57268-80-1
• EINECS: 260-657-6
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(OC=O)C3=CC=CC=C3)C(=O)O)CSC4=NN=N[N]4C
• InChI: 1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14?,17-/m1/s1
• InChIKey: RRJHESVQVSRQEX-ZYFOBHMOSA-N

Properties

• Density: 1.718g/cm³ (Cal.)