ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-methionyl-L-leucyl-L-phenylalanine | C25H39N3O6S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-methionyl-L-leucyl-L-phenylalanine

  • Molecular FormulaC25H39N3O6S
  • Average mass509.659 Da
  • Monoisotopic mass509.255951 Da
  • ChemSpider ID32821845

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

77553-37-8 [RN]
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-D-methionyl-L-leucyl- [ACD/Index Name]
L-Phenylalanine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-D-methionyl]-L-leucyl]-
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-methionyl-L-leucyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-methionyl-L-leucyl-L-phenylalanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-méthionyl-L-leucyl-L-phénylalanine [French] [ACD/IUPAC Name]
(6R,9S,12S)-12-benzyl-9-isobutyl-2,2-dimethyl-6-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid
67247-12-5 [RN]
Boc-MLF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.57
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

Click to predict properties on the Chemicalize site


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