(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-(Propanoylamino)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 74226-27-0]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-(Propanoylamino)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(1-Oxopropylamino)-2-Phenylethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenyl-2-Propionamido-Acetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-(Propanoylamino)Ethanoyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₂₃N₃O₅S
• Molecular Weight: 405.47
• CAS Registry Number: 74226-27-0
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)CC)C3=CC=CC=C3)C(=O)O)(C)C
• InChI: 1S/C19H23N3O5S/c1-4-11(23)20-12(10-8-6-5-7-9-10)15(24)21-13-16(25)22-14(18(26)27)19(2,3)28-17(13)22/h5-9,12-14,17H,4H2,1-3H3,(H,20,23)(H,21,24)(H,26,27)/t12?,13-,14+,17-/m1/s1
• InChIKey: NHCFJUVZVWVWQZ-DSZSVDOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 787.841°C at 760 mmHg (Cal.)
• Flash point: 430.271°C (Cal.)