(6R,7R)-7-[(2-Amino-2-phenyl-ethanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
[CAS# 65454-17-3]

Identification

• Name: (6R,7R)-7-[(2-Amino-2-phenyl-ethanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• Synonyms: (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₇N₃O₄S
• Molecular Weight: 347.39
• CAS Registry Number: 65454-17-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)C
• InChI: 1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10?,11-,15-/m1/s1
• InChIKey: ZAIPMKNFIOOWCQ-HUFXEGEASA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 727.427°C at 760 mmHg (Cal.)
• Flash point: 393.734°C (Cal.)