ChemSpider 2D Image | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER | C29H47N4O9P

2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER

  • Molecular FormulaC29H47N4O9P
  • Average mass626.679 Da
  • Monoisotopic mass626.308044 Da
  • ChemSpider ID392541

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER
L-Aspartamide, N-(3-methyl-1-oxobutyl)-L-valyl-N1-[(1R)-1-[hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-L-valyl-N1-[(1R)-1-(hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl)-3-methylbutyl]-L-aspartamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-valyl-N1-[(1R)-1-(hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl)-3-methylbutyl]-L-aspartamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-L-valyl-N1-[(1R)-1-(hydroxy{[(2S)-1-méthoxy-1-oxo-3-phényl-2-propanyl]oxy}phosphoryl)-3-méthylbutyl]-L-aspartamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL557341/
PP8

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: 1.522
Molar Refractivity: 159.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 521.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement