(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-Dioxohexahydropyrrolo[1,2-a]Pyrazin-2(1H)-Yl]-4-Phenylbutanoic Acid
[CAS# 219677-82-4]

Identification

• Name: (2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-Dioxohexahydropyrrolo[1,2-a]Pyrazin-2(1H)-Yl]-4-Phenylbutanoic Acid
• Synonyms: Lisinopril (8R,S)-Diketopiperazine (Mixture of Diastereomers); Lisinopril R,S,S-Diketopiperazine
• Molecular Formula: C₂₁H₂₉N₃O₄
• Molecular Weight: 387.47
• CAS Registry Number: 219677-82-4
• SMILES: c1ccc(cc1)CC[C@@H](C(=O)O)N2[C@H](C(=O)N3CCC[C@@H]3C2=O)CCCCN
• InChI: 1S/C21H29N3O4/c22-13-5-4-9-17-19(25)23-14-6-10-16(23)20(26)24(17)18(21(27)28)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,22H2,(H,27,28)/t16-,17+,18+/m1/s1
• InChIKey: FUEMHWCBWYXAOU-SQNIBIBYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 650.828°C at 760 mmHg (Cal.)
• Flash point: 347.409°C (Cal.)
• Refractive index: 1.609 (Cal.)