[6R-[6alpha,7beta(Z)]]-3-(Acetoxymethyl)-7-[(Methoxyimino)[2-(Tritylamino)Thiazol-4-Yl]Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 64485-92-3]

Identification

• Name: [6R-[6alpha,7beta(Z)]]-3-(Acetoxymethyl)-7-[(Methoxyimino)[2-(Tritylamino)Thiazol-4-Yl]Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[[(2E)-2-Methoxyimino-2-[2-[Tri(Phenyl)Methylamino]Thiazol-4-Yl]Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[[(2E)-2-Methoxyimino-1-Oxo-2-[2-[Tri(Phenyl)Methylamino]-4-Thiazolyl]Ethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-8-Keto-7-[[(2E)-2-Methoxyimino-2-[2-[Tri(Phenyl)Methylamino]Thiazol-4-Yl]Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₃₅H₃₁N₅O₇S₂
• Molecular Weight: 697.78
• CAS Registry Number: 64485-92-3
• EINECS: 264-914-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)COC(=O)C
• InChI: 1S/C35H31N5O7S2/c1-21(41)47-18-22-19-48-32-28(31(43)40(32)29(22)33(44)45)37-30(42)27(39-46-2)26-20-49-34(36-26)38-35(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20,28,32H,18-19H2,1-2H3,(H,36,38)(H,37,42)(H,44,45)/b39-27+/t28-,32-/m1/s1
• InChIKey: IHFZSFMOJYFAHV-PDMLXIOCSA-N

Properties

• Density: 1.438g/cm³ (Cal.)