(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylbenzoyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 304-43-8]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylbenzoyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[Oxo-(2-Phenylphenyl)Methyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylbenzoyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylphenyl)Carbonylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₀N₂O₄S
• Molecular Weight: 396.46
• CAS Registry Number: 304-43-8
• EINECS: 206-154-7
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C(O)=O)C(=O)[C@H]2NC(C4=C(C3=CC=CC=C3)C=CC=C4)=O
• InChI: 1S/C21H20N2O4S/c1-21(2)16(20(26)27)23-18(25)15(19(23)28-21)22-17(24)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16,19H,1-2H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
• InChIKey: BBQSZMJQBZBHAO-JTDSTZFVSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 694.594°C at 760 mmHg (Cal.)
• Flash point: 373.877°C (Cal.)