ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-Alanyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Alaninamide | C29H40N3O9P

N-[(Benzyloxy)carbonyl]-L-Alanyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Alaninamide

  • Molecular FormulaC29H40N3O9P
  • Average mass605.616 Da
  • Monoisotopic mass605.250244 Da
  • ChemSpider ID4593522
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1R)-1-[(S)-hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-méthoxy-1-oxo-3-phényl-2-propanyl]oxy}phosphoryl]-3-méthylbutyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-Alanyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Alaninamide
0P1
CBZ-ALA-ALA-PLE-OPH

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: 1.544
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.22
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 488.1±3.0 cm3

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