ChemSpider 2D Image | N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide | C44H56N8O8

N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide

  • Molecular FormulaC44H56N8O8
  • Average mass824.964 Da
  • Monoisotopic mass824.422119 Da
  • ChemSpider ID4436384

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-(2-pyrazinylcarbonyl)-D-valyl-D-valyl-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-N-[1-[1,2-dioxo-2-[(2-phenylethyl)amino]ethyl]butyl]-, (4R)- [ACD/Index Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydro-2(1H)-isochinolinylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydro-2(1H)-isoquinoléinylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phényléthyl)amino]-3-hexanyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide [ACD/IUPAC Name]
N-(pyrazin-2-ylcarbonyl)-D-valyl-D-valyl-(4R)-4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)oxy]-N-{1,2-dioxo-1-[(2-phenylethyl)amino]hexan-3-yl}-L-prolinamide
3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-5-((R)-1-phenethylaminooxalyl-butylcarbamoyl)-pyrrolidin-3-yl ester
CHEMBL32704
L-Prolinamide, N-(pyrazinylcarbonyl)-D-valyl-D-valyl-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-N-[1-[1,2-dioxo-2-[(2-phenylethyl)amino]ethyl]butyl]-, (4R)-

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

AIDS208627 [DBID]
AIDS-208627 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 222.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.28
ACD/KOC (pH 5.5): 1466.59
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.27
ACD/KOC (pH 7.4): 1466.53
Polar Surface Area: 209 Å2
Polarizability: 88.1±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 638.4±5.0 cm3

Click to predict properties on the Chemicalize site


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