7-(2- (2-Aminothiazol-4-Yl)-2-(1-Carboxy-1-Methylethoxyimino)Acetamido)-3-(3,4-Dihydroxybenzoyloxy)Methyl-3-Cephem-4-Carboxylic Acid
[CAS# 118680-12-9]

Identification

• Name: 7-(2- (2-Aminothiazol-4-Yl)-2-(1-Carboxy-1-Methylethoxyimino)Acetamido)-3-(3,4-Dihydroxybenzoyloxy)Methyl-3-Cephem-4-Carboxylic Acid
• Synonyms: (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-(2-Hydroxy-1,1-Dimethyl-2-Oxo-Ethoxy)Imino-Acetyl]Amino]-3-[(3,4-Dihydroxybenzoyl)Oxymethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-(2-Hydroxy-1,1-Dimethyl-2-Oxoethoxy)Imino-1-Oxoethyl]Amino]-3-[[(3,4-Dihydroxyphenyl)-Oxomethoxy]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-(2-Hydroxy-2-Keto-1,1-Dimethyl-Ethoxy)Imino-Acetyl]Amino]-3-[(3,4-Dihydroxybenzoyl)Oxymethyl]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₄H₂₃N₅O₁₁S₂
• Molecular Weight: 621.59
• CAS Registry Number: 118680-12-9
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C(=O)O)(C)C)/C3=CSC(=N3)N)C(=O)O)COC(=O)C4=CC=C(O)C(=C4)O
• InChI: 1S/C24H23N5O11S2/c1-24(2,22(37)38)40-28-14(11-8-42-23(25)26-11)17(32)27-15-18(33)29-16(20(34)35)10(7-41-19(15)29)6-39-21(36)9-3-4-12(30)13(31)5-9/h3-5,8,15,19,30-31H,6-7H2,1-2H3,(H2,25,26)(H,27,32)(H,34,35)(H,37,38)/b28-14+/t15-,19-/m1/s1
• InChIKey: KLYMJTRPLLECHE-XZISTLJXSA-N