ChemSpider 2D Image | N~2~-(2-Naphthoyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-lysinamide | C29H44N8O4

N2-(2-Naphthoyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-lysinamide

  • Molecular FormulaC29H44N8O4
  • Average mass568.711 Da
  • Monoisotopic mass568.348572 Da
  • ChemSpider ID23343592

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Lysinamide, N2-(2-naphthalenylcarbonyl)-L-lysyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]- [ACD/Index Name]
N2-(2-Naphthoyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-lysinamid [German] [ACD/IUPAC Name]
N2-(2-Naphthoyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-lysinamide [ACD/IUPAC Name]
N2-(2-Naphtoyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]-L-lysinamide [French] [ACD/IUPAC Name]
N2-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide
2-Naphthoyl-KKR-H
Capped tripeptide aldehyde inhibitor, 1
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521985/
N2-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-L-lysinamide

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: 1.625
Molar Refractivity: 154.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -5.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 436.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement