(Pivaloyloxy)Methyl [2S-[2alpha,5alpha,6beta(S*)]]-6-(2-Amino-2-Phenylacetamido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Monohydrochloride
[CAS# 26309-95-5]

Identification

• Name: (Pivaloyloxy)Methyl [2S-[2alpha,5alpha,6beta(S*)]]-6-(2-Amino-2-Phenylacetamido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Monohydrochloride
• Synonyms: 2,2-Dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrochloride; (2S,5R,6R)-6-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid (2,2-Dimethyl-1-Oxopropoxy)Methyl Ester Hydrochloride; (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Pivaloyloxymethyl Ester Hydrochloride
• Molecular Formula: C₂₂H₃₀ClN₃O₆S
• Molecular Weight: 500.01
• CAS Registry Number: 26309-95-5
• EINECS: 247-604-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(OCOC(=O)C(C)(C)C)=O)(C)C.[H+].[Cl-]
• InChI: 1S/C22H29N3O6S.ClH/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);1H/t13-,14-,15+,18-;/m1./s1
• InChIKey: DQECFVGMGBQCPA-GLCLSGQWSA-N

Properties

• Boiling point: 679°C at 760 mmHg (Cal.)
• Flash point: 364.5°C (Cal.)