Potassium [2S-[2alpha,5alpha,6beta(S*)]]-6-(Aminophenylacetamido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 23277-71-6]

Identification

• Name: Potassium [2S-[2alpha,5alpha,6beta(S*)]]-6-(Aminophenylacetamido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Potassium 6-[(2-Amino-2-Phenyl-Acetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium 6-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium 6-[(2-Amino-2-Phenyl-Acetyl)Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₆H₁₈KN₃O₄S
• Molecular Weight: 387.49
• CAS Registry Number: 23277-71-6
• EINECS: 245-550-4
• SMILES: C3=C(C(N)C(=O)NC2C1SC(C(N1C2=O)C([O-])=O)(C)C)C=CC=C3.[K+]
• InChI: 1S/C16H19N3O4S.K/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1
• InChIKey: JWUWRSHQQLUTRD-UHFFFAOYSA-M

Properties

• Boiling point: 683.9°C at 760 mmHg (Cal.)
• Flash point: 367.4°C (Cal.)