ChemSpider 2D Image | (2R,3aR,7aR)-1-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) | C19H32N2O5

(2R,3aR,7aR)-1-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC19H32N2O5
  • Average mass368.468 Da
  • Monoisotopic mass368.231110 Da
  • ChemSpider ID34986832

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3aR,7aR)-1-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indol-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3aR,7aR)-1-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,3aR,7aR)-1-[(2R)-2-{[(2R)-1-éthoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-2-[(1S)-1-Carbethoxybutylamino]-1-oxopropyl-(2S,3aS,7aS)-perhydroindole-2-carboxylic Acid
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carbethoxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
1''-EPI-PERINDOPRIL, (±)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C07706 [DBID]
D03753 [DBID]
DW-7950 [DBID]
KBio2_002494 [DBID]
KBio2_005062 [DBID]
KBio2_007630 [DBID]
KBio3_002426 [DBID]
KBioGR_001190 [DBID]
KBioSS_002502 [DBID]
SED-9490 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 278.8±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.83
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


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