(6R)-7-{[(2-Amino-1,3-Thiazol-4-Yl){[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-[3-(7-Hydroxy-6-Oxo-2(6H)-Isoquinolinyl)-1-Propen-1-Yl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 150256-26-1]

Identification

• Name: (6R)-7-{[(2-Amino-1,3-Thiazol-4-Yl){[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-[3-(7-Hydroxy-6-Oxo-2(6H)-Isoquinolinyl)-1-Propen-1-Yl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 7-(2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido)-3-(3-(2,6-dihydro-7-hydroxy-6-oxoisoquinolin-2-yl)propen-1-yl)-3-cephem-4-carboxylic acid
• Molecular Formula: C₂₈H₂₆N₆O₉S₂
• Molecular Weight: 654.67
• CAS Registry Number: 150256-26-1
• SMILES: CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC2[C@@H]3N(C2=O)C(=C(CS3)C=CCn4ccc-5cc(=O)c(cc5c4)O)C(=O)O
• InChI: 1S/C28H26N6O9S2/c1-28(2,26(41)42)43-32-19(16-12-45-27(29)30-16)22(37)31-20-23(38)34-21(25(39)40)14(11-44-24(20)34)4-3-6-33-7-5-13-8-17(35)18(36)9-15(13)10-33/h3-5,7-10,12,20,24,36H,6,11H2,1-2H3,(H2,29,30)(H,31,37)(H,39,40)(H,41,42)/t20?,24-/m1/s1
• InChIKey: AKKFJBRQYHLNKR-PIFIWZBESA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Refractive index: 1.769 (Cal.)