ChemSpider 2D Image | (4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline | C30H46NO7P

(4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline

  • Molecular FormulaC30H46NO7P
  • Average mass563.662 Da
  • Monoisotopic mass563.301208 Da
  • ChemSpider ID50469

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline
(4S)-4-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline [ACD/IUPAC Name]
(4S)-4-Cyclohexyl-1-(2-{[2-méthyl-1-(propionyloxy)propoxy](4-phénylbutyl)phosphoryl}acétyl)-L-proline [French] [ACD/IUPAC Name]
(4S)-4-cyclohexyl-1-{[{[2-methyl-1-(propanoyloxy)propyl]oxy}(4-phenylbutyl)phosphoryl]acetyl}-L-proline
98048-97-6 [RN]
L-proline, 4-cyclohexyl-1-[[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, (4S)-
L-Proline, 4-cyclohexyl-1-[2-[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, (4S)- [ACD/Index Name]
(2S,4S)-4-Cyclohexyl-1-(2-((2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylic acid
(2S,4S)-4-cyclohexyl-1-(2-{[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8176492 [DBID]
C07016 [DBID]
LS-118919 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      C09AA09 Wikidata Q425293

    • Chemical Class:

      A phosphinate ester-containing N-acyl derivative of (4<stereo>S</stereo>)-cyclohexyl-<stereo>L</stereo>-proline. It is used for the treatment of hypertension and heart failure. A pro-drug, it is hydro lysed <ital>in vivo</ital> to the corresponding phosphininc acid, fosinoprilat, which is the active metabolite. ChEBI CHEBI:5163
      A phosphinate ester-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. It is used for the treatment of hypertension and heart failure. A pro-drug, it is hydro; lysed in vivo to the correspondi ng phosphininc acid, fosinoprilat, which is the active metabolite. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5163

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 705.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.532
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 63.62
ACD/KOC (pH 5.5): 170.20
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 6.07
Polar Surface Area: 120 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 480.4±3.0 cm3

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