(6R,7R)-3-(Acetoxymethyl)-8-Oxo-7-[(2-Amino-4-Thiazolyl)(Methoxyimino)Acetylamino]-5-Thia-1-Azabicyclo[4.2.0]Octa-2-Ene-2-Carboxylic Acid
[CAS# 60846-21-1]

Identification

• Name: (6R,7R)-3-(Acetoxymethyl)-8-Oxo-7-[(2-Amino-4-Thiazolyl)(Methoxyimino)Acetylamino]-5-Thia-1-Azabicyclo[4.2.0]Octa-2-Ene-2-Carboxylic Acid
• Synonyms: 3-(Acetoxymethyl)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 3-(Acetoxymethyl)-7-[[(2Z)-2-(2-Amino-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 3-(Acetoxymethyl)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₇N₅O₇S₂
• Molecular Weight: 455.46
• CAS Registry Number: 60846-21-1
• SMILES: C1=C(N=C(S1)N)/C(=N/OC)C(=O)NC3C2SCC(=C(N2C3=O)C(=O)O)COC(=O)C
• InChI: 1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-
• InChIKey: GPRBEKHLDVQUJE-UKWGHVSLSA-N

Properties

• Density: 1.802g/cm³ (Cal.)