(3,3-Dimethyl-2-Oxobutyl) (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# 137778-03-1]

Identification

• Name: (3,3-Dimethyl-2-Oxobutyl) (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: (3,3-Dimethyl-2-Oxo-Butyl) (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 (3,3-Dimethyl-2-Oxobutyl) 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-3,3-Dimethyl-Butyl) Ester
• Molecular Formula: C₂₂H₂₇N₅O₆S₂
• Molecular Weight: 521.61
• CAS Registry Number: 137778-03-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)/C3=CSC(=N3)N)C(OCC(=O)C(C)(C)C)=O)C(=C)C
• InChI: 1S/C22H27N5O6S2/c1-10(2)11-8-34-19-15(25-17(29)14(26-32-6)12-9-35-21(23)24-12)18(30)27(19)16(11)20(31)33-7-13(28)22(3,4)5/h9,15,19H,1,7-8H2,2-6H3,(H2,23,24)(H,25,29)/b26-14+/t15-,19-/m1/s1
• InChIKey: XMBYPLVYBALMFA-IRPQAHJPSA-N

Properties

• Density: 1.475g/cm³ (Cal.)