(5R,6S)-3-[[2-(Acetylamino)Ethyl]Thio]-6-[(R)-1-Hydroxyethyl]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 63701-32-6]

Identification

• Name: (5R,6S)-3-[[2-(Acetylamino)Ethyl]Thio]-6-[(R)-1-Hydroxyethyl]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: N-Acetylthienamycin
• Molecular Formula: C₁₃H₁₈N₂O₅S
• Molecular Weight: 314.36
• CAS Registry Number: 63701-32-6
• SMILES: [C@H]12N(C(=O)[C@H]1[C@H](O)C)C(=C(SCCNC(=O)C)C2)C(=O)O
• InChI: 1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10+/m1/s1
• InChIKey: VUDXUIMGYZQRKK-YNEQXMIYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 628.461°C at 760 mmHg (Cal.)
• Flash point: 333.881°C (Cal.)