Spiraprilat
[CAS# 83602-05-5]

Identification

• Name: Spiraprilat
• Synonyms: (7S)-8-[(2S)-2-[[(1S)-1-Carboxy-3-Phenyl-Propyl]Amino]Propanoyl]-1,4-Dithia-8-Azaspiro[4.4]Nonane-7-Carboxylic Acid; (7S)-8-[(2S)-2-[[(1S)-1-Carboxy-3-Phenylpropyl]Amino]-1-Oxopropyl]-1,4-Dithia-8-Azaspiro[4.4]Nonane-7-Carboxylic Acid; (7S)-8-[(2S)-2-[[(2S)-1-Hydroxy-1-Oxo-4-Phenyl-Butan-2-Yl]Amino]Propanoyl]-1,4-Dithia-8-Azaspiro[4.4]Nonane-7-Carboxylic Acid
• Molecular Formula: C₂₀H₂₆N₂O₅S₂
• Molecular Weight: 438.56
• CAS Registry Number: 83602-05-5
• SMILES: [C@H]1(CC3(CN1C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C)=O)SCCS3)C(O)=O
• InChI: 1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1
• InChIKey: FMMDBLMCSDRUPA-BPUTZDHNSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 710.715°C at 760 mmHg (Cal.)
• Flash point: 383.627°C (Cal.)