ChemSpider 2D Image | (3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C27H34N2O7

(3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC27H34N2O7
  • Average mass498.568 Da
  • Monoisotopic mass498.236603 Da
  • ChemSpider ID26943957

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (3R)- [ACD/Index Name]
Acide (3R)-2-{N-[(2R)-1-éthoxy-1-oxo-4-phényl-2-butanyl]-L-alanyl}-6,7-diméthoxy-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
(3R)-2-[(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
(3R)-2-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
(3S)-2-{N-[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
103775-10-6 [RN]
2-[2-[(1-Ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Moexipril

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 408.1±3.0 cm3

Click to predict properties on the Chemicalize site


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