3-Ethynylcephalosporin
[CAS# 91939-29-6]

Identification

• Name: 3-Ethynylcephalosporin
• Synonyms: (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-(Carboxymethyloxyimino)Acetyl]Amino]-3-Ethynyl-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-(Carboxymethyloxyimino)-1-Oxoethyl]Amino]-3-Ethynyl-8-Oxo-5-Th
• Molecular Formula: C₁₆H₁₃N₅O₇S₂
• Molecular Weight: 451.43
• CAS Registry Number: 91939-29-6
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(=O)O)/C3=CSC(=N3)N)C(=O)O)C#C
• InChI: 1S/C16H13N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h1,5,10,14H,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1
• InChIKey: YUABTBPCNNVAOC-VINNURBNSA-N