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

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

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID9425933

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

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

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: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.83
ACD/KOC (pH 5.5): 376.09
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.83
ACD/KOC (pH 7.4): 376.08
Polar Surface Area: 180 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 544.4±5.0 cm3

Click to predict properties on the Chemicalize site


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