ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-L-arginyl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]-4-heptanyl}-L-valinamide | C35H53N7O6

N2-[(Benzyloxy)carbonyl]-L-arginyl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]-4-heptanyl}-L-valinamide

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID58915602

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valinamide, N2-[(phenylmethoxy)carbonyl]-L-arginyl-N-[(1S,2S)-2-hydroxy-1-(2-methylpropyl)-4-oxo-4-[(2-phenylethyl)amino]butyl]- [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-L-arginyl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]-4-heptanyl}-L-valinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-L-arginyl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]-4-heptanyl}-L-valinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-L-arginyl-N-{(3S,4S)-3-hydroxy-6-méthyl-1-oxo-1-[(2-phényléthyl)amino]-4-heptanyl}-L-valinamide [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: 1.587
Molar Refractivity: 182.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.48
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.48
Polar Surface Area: 208 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 544.1±7.0 cm3

Click to predict properties on the Chemicalize site


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