ChemSpider 2D Image | Lisinopril R,S,S-Diketopiperazine | C21H29N3O4

Lisinopril R,S,S-Diketopiperazine

  • Molecular FormulaC21H29N3O4
  • Average mass387.473 Da
  • Monoisotopic mass387.215820 Da
  • ChemSpider ID23936480

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic acid [ACD/IUPAC Name]
(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutansäure [German] [ACD/IUPAC Name]
219677-82-4 [RN]
Acide (2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Lisinopril R,S,S-Diketopiperazine
Pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid, 3-(4-aminobutyl)hexahydro-1,4-dioxo-α-(2-phenylethyl)-, (αS,3S,8aR)- [ACD/Index Name]
(2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acid
(2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenyl-butanoic acid
(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic Acid (R,S,S-Diketopiperazine)
(2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3YLW25P64O [DBID]
UNII:3YLW25P64O [DBID]
UNII-3YLW25P64O [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 304.2±5.0 cm3

Click to predict properties on the Chemicalize site


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