ChemSpider 2D Image | N-(Isopropoxycarbonyl)-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phenylethyl]amino}-3-hexanyl)prolinamide | C28H42N4O6

N-(Isopropoxycarbonyl)-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phenylethyl]amino}-3-hexanyl)prolinamide

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID23200764

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

N-(Isopropoxycarbonyl)-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phenylethyl]amino}-3-hexanyl)prolinamid [German] [ACD/IUPAC Name]
N-(Isopropoxycarbonyl)-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phenylethyl]amino}-3-hexanyl)prolinamide [ACD/IUPAC Name]
N-(Isopropoxycarbonyl)-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phényléthyl]amino}-3-hexanyl)prolinamide [French] [ACD/IUPAC Name]
N-[(propan-2-yloxy)carbonyl]-L-valyl-N-(1,2-dioxo-1-{[(1S)-1-phenylethyl]amino}hexan-3-yl)prolinamide
Prolinamide, N-[(1-methylethoxy)carbonyl]-L-valyl-N-[1-[1,2-dioxo-2-[[(1S)-1-phenylethyl]amino]ethyl]butyl]- [ACD/Index Name]
((S)-2-Methyl-1-{2-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-pyrrolidine-1-carbonyl}-propyl)-carbamic acid isopropyl ester

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: 1.530
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.99
ACD/KOC (pH 5.5): 596.79
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.98
ACD/KOC (pH 7.4): 596.64
Polar Surface Area: 134 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 460.5±3.0 cm3

Click to predict properties on the Chemicalize site


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