ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-ethoxy-5-oxo-3-penten-2-yl]-L-phenylalaninamide | C31H40N4O8

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-ethoxy-5-oxo-3-penten-2-yl]-L-phenylalaninamide

  • Molecular FormulaC31H40N4O8
  • Average mass596.671 Da
  • Monoisotopic mass596.284607 Da
  • ChemSpider ID4979403

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1R,2E)-1-[[(aminocarbonyl)oxy]methyl]-4-ethoxy-4-oxo-2-buten-1-yl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-ethoxy-5-oxo-3-penten-2-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-ethoxy-5-oxo-3-penten-2-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-éthoxy-5-oxo-3-pentén-2-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3E)-1-(carbamoyloxy)-5-ethoxy-5-oxopent-3-en-2-yl]-L-phenylalaninamide
(E)-(R)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-5-carbamoyloxy-pent-2-enoic acid ethyl ester
4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-5-carbamoyloxy-pent-2-enoic acid, ethyl ester

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

AIDS163886 [DBID]
AIDS-163886 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 874.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 482.6±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 419.18
ACD/KOC (pH 5.5): 2622.51
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 419.01
ACD/KOC (pH 7.4): 2621.47
Polar Surface Area: 175 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 493.5±3.0 cm3

Click to predict properties on the Chemicalize site


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