ChemSpider 2D Image | N-Acetyl-L-isoleucyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-isoleucinamide | C20H38N6O4

N-Acetyl-L-isoleucyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-isoleucinamide

  • Molecular FormulaC20H38N6O4
  • Average mass426.553 Da
  • Monoisotopic mass426.295441 Da
  • ChemSpider ID24958705

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

L-Isoleucinamide, N-acetyl-L-isoleucyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]- [ACD/Index Name]
N-Acetyl-L-isoleucyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-isoleucinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-isoleucyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-isoleucinamide [ACD/IUPAC Name]
N-Acétyl-L-isoleucyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-isoleucinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

Click to predict properties on the Chemicalize site


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