N-Acetylcilastatin
[CAS# 94388-32-6]

Identification

• Name: N-Acetylcilastatin
• Synonyms: (Z)-7-[(2S)-2-Acetamido-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]Hept-2-Enoic Acid; (Z)-7-[[(2S)-2-Acetamido-3-Hydroxy-3-Oxopropyl]Thio]-2-[[[(1S)-2,2-Dimethylcyclopropyl]-Oxomethyl]Amino]Hept-2-Enoic Acid; (Z)-7-[[(2S
• Molecular Formula: C₁₈H₂₈N₂O₆S
• Molecular Weight: 400.49
• CAS Registry Number: 94388-32-6
• SMILES: [C@H]1(C(C1)(C)C)C(=O)NC(=C\CCCCSC[C@H](C(O)=O)NC(C)=O)/C(O)=O
• InChI: 1S/C18H28N2O6S/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b13-7-/t12-,14-/m1/s1
• InChIKey: SEQPPJZLZIXXRN-FZKSUDTASA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 754.901°C at 760 mmHg (Cal.)
• Flash point: 410.349°C (Cal.)