ChemSpider 2D Image | N-{(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-D-valyl-(3S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-3-ethyl-L-prolinamide | C35H53N7O6

N-{(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-D-valyl-(3S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-3-ethyl-L-prolinamide

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID2277410

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-[(2R)-2-cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl]-3-methyl-D-valyl-N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-3-ethyl-, (3S)- [ACD/Index Name]
N-{(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-D-valyl-(3S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-3-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
N-{(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-D-valyl-(3S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-3-ethyl-L-prolinamide [ACD/IUPAC Name]
N-{(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acétyl}-3-méthyl-D-valyl-(3S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-3-éthyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, N-[(2R)-2-cyclohexyl-2-[(pyrazinylcarbonyl)amino]acetyl]-3-methyl-D-valyl-N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-3-ethyl-, (3S)-

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

AIDS196063 [DBID]
AIDS-196063 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.68
ACD/KOC (pH 5.5): 687.87
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.68
ACD/KOC (pH 7.4): 687.85
Polar Surface Area: 180 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 544.2±5.0 cm3

Click to predict properties on the Chemicalize site


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