ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-[2-{[(benzyloxy)carbonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-D-isoleucinamide | C25H32N4O7

N2-[(Benzyloxy)carbonyl]-N-[2-{[(benzyloxy)carbonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-D-isoleucinamide

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID23172804

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[2-(hydroxyamino)-1-[[[(2R,3R)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]methyl]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[2-{[(benzyloxy)carbonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-D-isoleucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[2-{[(benzyloxy)carbonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-D-isoleucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[2-{[(benzyloxy)carbonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-D-isoleucinamide [French] [ACD/IUPAC Name]
[(1R,2R)-1-(2-Benzyloxycarbonylamino-2-hydroxycarbamoyl-ethylcarbamoyl)-2-methyl-butyl]-carbamic acid benzyl ester
CHEMBL81901

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: 1.568
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.15
ACD/KOC (pH 5.5): 471.62
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.15
ACD/KOC (pH 7.4): 459.25
Polar Surface Area: 155 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

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