Ethyl N-[(benzoylsulfanyl)acetyl]-3-{[(benzoylsulfanyl)acetyl]amino}-L-alaninate
[CAS# 85916-30-9]

Identification

• Name: Ethyl N-[(benzoylsulfanyl)acetyl]-3-{[(benzoylsulfanyl)acetyl]amino}-L-alaninate
• Synonyms: Alanine, N-((benzoylthio)acetyl)-3-(((benzoylthio)acetyl)amino)-, (2S-(2α,3α(S*),5α,6β))-
• Molecular Formula: C₂₃H₂₄N₂O₆S₂
• Molecular Weight: 488.58
• CAS Registry Number: 85916-30-9
• SMILES: O=C(SCC(=O)NC[C@@H](C(=O)OCC)NC(=O)CSC(=O)c1ccccc1)c2ccccc2
• InChI: 1S/C23H24N2O6S2/c1-2-31-21(28)18(25-20(27)15-33-23(30)17-11-7-4-8-12-17)13-24-19(26)14-32-22(29)16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,24,26)(H,25,27)/t18-/m0/s1
• InChIKey: AVQVGLWOKIUHSY-SFHVURJKSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 713.089°C at 760 mmHg (Cal.)
• Flash point: 385.062°C (Cal.)