ChemSpider 2D Image | N-(3-Methylbutanoyl)valyl-N~1~-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-aspartamide | C29H47N4O9P

N-(3-Methylbutanoyl)valyl-N1-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-aspartamide

  • Molecular FormulaC29H47N4O9P
  • Average mass626.679 Da
  • Monoisotopic mass626.308044 Da
  • ChemSpider ID23172216

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Aspartamide, N-(3-methyl-1-oxobutyl)valyl-N1-[(1R)-1-[(S)-hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)valyl-N1-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-aspartamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)valyl-N1-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-aspartamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)valyl-N1-{(1R)-1-[(S)-hydroxy{[(2S)-1-méthoxy-1-oxo-3-phényl-2-propanyl]oxy}phosphoryl]-3-méthylbutyl}-L-aspartamide [French] [ACD/IUPAC Name]
N-(3-methylbutanoyl)valyl-N1-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-aspartamide
2-[(1-{3-Carbamoyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-propionylamino}-3-methyl-butyl)-hydroxy-phosphinoyloxy]-3-phenyl-propionic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL309930/

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


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