ChemSpider 2D Image | N~2~-{[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl](oxo)acetyl}-N-(2-methyl-2-propanyl)-D-leucinamide | C33H44N4O6

N2-{[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl](oxo)acetyl}-N-(2-methyl-2-propanyl)-D-leucinamide

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID9016472

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[(2S)-2-[2-[[(1R)-1-[[(1,1-dimethylethyl)amino]carbonyl]-3-methylbutyl]amino]-1,2-dioxoethyl]-1-pyrrolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester [ACD/Index Name]
N2-{[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl](oxo)acetyl}-N-(2-methyl-2-propanyl)-D-leucinamid [German] [ACD/IUPAC Name]
N2-{[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl](oxo)acetyl}-N-(2-methyl-2-propanyl)-D-leucinamide [ACD/IUPAC Name]
N2-{2-[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phénylalanyl}-2-pyrrolidinyl]-2-oxoacétyl}-N-(2-méthyl-2-propanyl)-D-leucinamide [French] [ACD/IUPAC Name]

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: 1.557
Molar Refractivity: 162.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.10
ACD/KOC (pH 5.5): 2911.52
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 484.54
ACD/KOC (pH 7.4): 2908.15
Polar Surface Area: 134 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 503.6±3.0 cm3

Click to predict properties on the Chemicalize site


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