(5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-8-Oxo-3-Prop-1-En-2-Yl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 137778-06-4]

Identification

• Name: (5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-8-Oxo-3-Prop-1-En-2-Yl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-Isopropenyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-3-Isopropenyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl Ester; (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-Isopropenyl-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (2-Keto-5-Methyl-1,3-Dioxol-4-Yl)Methyl Ester
• Molecular Formula: C₂₁H₂₁N₅O₈S₂
• Molecular Weight: 535.55
• CAS Registry Number: 137778-06-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)/C3=CSC(=N3)N)C(OCC4=C(OC(O4)=O)C)=O)C(=C)C
• InChI: 1S/C21H21N5O8S2/c1-8(2)10-6-35-18-14(24-16(27)13(25-31-4)11-7-36-20(22)23-11)17(28)26(18)15(10)19(29)32-5-12-9(3)33-21(30)34-12/h7,14,18H,1,5-6H2,2-4H3,(H2,22,23)(H,24,27)/b25-13+/t14-,18-/m1/s1
• InChIKey: KQGNEPPMEINCBV-NLYRJCHXSA-N

Properties

• Density: 1.682g/cm³ (Cal.)