trans-2-[[[1-(2-Aminothiazol-4-Yl)-2-[(2-Methyl-4-Oxo-1-Sulphoazetidin-3-Yl)Amino]-2-Oxoethylidene]Amino]Oxy]-2-Methylpropionic Acid
[CAS# 85506-30-5]

Identification

• Name: trans-2-[[[1-(2-Aminothiazol-4-Yl)-2-[(2-Methyl-4-Oxo-1-Sulphoazetidin-3-Yl)Amino]-2-Oxoethylidene]Amino]Oxy]-2-Methylpropionic Acid
• Synonyms: 2-[[1-(2-Aminothiazol-4-Yl)-2-[(2-Methyl-4-Oxo-1-Sulfo-Azetidin-3-Yl)Amino]-2-Oxo-Ethylidene]Amino]Oxy-2-Methyl-Propanoic Acid; 2-[[1-(2-Amino-4-Thiazolyl)-2-[(2-Methyl-4-Oxo-1-Sulfo-3-Azetidinyl)Amino]-2-Oxoethylidene]Amino]Oxy-2-Methylpropanoic Acid; 2-[[1-(2-Aminothiazol-4-Yl)-2-Keto-2-[(2-Keto-4-Methyl-1-Sulfo-Azetidin-3-Yl)Amino]Ethylidene]Amino]Oxy-2-Methyl-Propionic Acid
• Molecular Formula: C₁₃H₁₇N₅O₈S₂
• Molecular Weight: 435.43
• CAS Registry Number: 85506-30-5
• EINECS: 287-382-4
• SMILES: C1=C(N=C(S1)N)\C(=N/OC(C(=O)O)(C)C)C(=O)NC2C(=O)N([S](=O)(=O)O)C2C
• InChI: 1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+
• InChIKey: WZPBZJONDBGPKJ-CAOOACKPSA-N

Properties

• Density: 1.838g/cm³ (Cal.)