(6S,7S)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-[(3-Methylbenzotriazol-3-Ium-1-Yl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; Hydrogen Sulfate
[CAS# 148098-42-4]

Identification

• Name: (6S,7S)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-[(3-Methylbenzotriazol-3-Ium-1-Yl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; Hydrogen Sulfate
• Synonyms: (6S,7S)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-[(3-Methylbenzotriazol-3-Ium-1-Yl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; Hydrogen Sulfate; (6S,7S)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-3-[(3-Methyl-1-Benzotriazol-3-Iumyl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; Hydrogen Sulfate; (6S,7S)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-8-Keto-3-[(3-Methylbenzotriazol-3-Ium-1-Yl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Bisulfate
• Molecular Formula: C₂₁H₂₂N₈O₉S₃
• Molecular Weight: 626.63
• CAS Registry Number: 148098-42-4
• SMILES: [C@@H]12SCC(=C(N1C(=O)[C@@H]2NC(=O)C(=N/OC)/C3=CSC(=N3)N)C(=O)O)C[N+]4=N[N](C5=CC=CC=C45)C.O=[S]([O-])(=O)O
• InChI: 1S/C21H20N8O5S2.H2O4S/c1-27-12-5-3-4-6-13(12)28(26-27)7-10-8-35-19-15(18(31)29(19)16(10)20(32)33)24-17(30)14(25-34-2)11-9-36-21(22)23-11;1-5(2,3)4/h3-6,9,15,19H,7-8H2,1-2H3,(H3-,22,23,24,30,32,33);(H2,1,2,3,4)/b25-14+;/t15-,19-;/m0./s1
• InChIKey: VARUIFAKBWGHQS-VRCSYQRPSA-N