Potassium, (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid, (2R,3Z,5R)-3-(2-Hydroxyethylidene)-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 74469-00-4]

Identification

• Name: Potassium, (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid, (2R,3Z,5R)-3-(2-Hydroxyethylidene)-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Potassium; (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2R,3Z,5R)-3-(2-Hydroxyethylidene)-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium; (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2R,3Z,5R)-3-(2-Hydroxyethylidene)-7-Keto-4-Oxa-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₄H₂₇KN₄O₁₀S
• Molecular Weight: 602.66
• CAS Registry Number: 74469-00-4 (79198-29-1)
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)O)(C)C.[C@H]45OC(/[C@@H](N4C(=O)C5)C([O-])=O)=C\CO.[K+]
• InChI: 1S/C16H19N3O5S.C8H9NO5.K/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13);/q;;+1/p-1/b;4-1-;/t9-,10-,11+,14-;6-,7-;/m11./s1
• InChIKey: DWHGNUUWCJZQHO-ZVDZYBSKSA-M

Properties

• Boiling point: 743.2°C at 760 mmHg (Cal.)
• Flash point: 403.3°C (Cal.)