6a-[[(Phenylthio)Acetyl]Amino]Penicillanic Acid Potassium Salt
[CAS# 4803-45-6]

Identification

• Name: 6a-[[(Phenylthio)Acetyl]Amino]Penicillanic Acid Potassium Salt
• Synonyms: Potassium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenylthio)Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-(Phenylthio)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylsulfanylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₆H₁₇KN₂O₄S₂
• Molecular Weight: 404.54
• CAS Registry Number: 4803-45-6
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C([O-])=O)C(=O)[C@H]2NC(CSC3=CC=CC=C3)=O.[K+]
• InChI: 1S/C16H18N2O4S2.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
• InChIKey: MADJTHHWRMUVQG-LQDWTQKMSA-M