ChemSpider 2D Image | N-(6-{[N-(6-Formamidohexanoyl)-L-leucyl-L-phenylalanyl]amino}hexanoyl)-L-tyrosyl-L-leucine | C43H64N6O9

N-(6-{[N-(6-Formamidohexanoyl)-L-leucyl-L-phenylalanyl]amino}hexanoyl)-L-tyrosyl-L-leucine

  • Molecular FormulaC43H64N6O9
  • Average mass809.003 Da
  • Monoisotopic mass808.473450 Da
  • ChemSpider ID58809259

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucine, N-[(9S,12S)-12-(2-methylpropyl)-1,8,11,14,21-pentaoxo-9-(phenylmethyl)-7,10,13,20-tetraazaheneicos-1-yl]-L-tyrosyl- [ACD/Index Name]
N-(6-{[N-(6-Formamidohexanoyl)-L-leucyl-L-phenylalanyl]amino}hexanoyl)-L-tyrosyl-L-leucin [German] [ACD/IUPAC Name]
N-(6-{[N-(6-Formamidohexanoyl)-L-leucyl-L-phenylalanyl]amino}hexanoyl)-L-tyrosyl-L-leucine [ACD/IUPAC Name]
N-(6-{[N-(6-Formamidohexanoyl)-L-leucyl-L-phénylalanyl]amino}hexanoyl)-L-tyrosyl-L-leucine [French] [ACD/IUPAC Name]
134283-52-6 [RN]
N-[N-[6-[[N-[N-[6-(Formylamino)-1-oxohexyl]-L-leucyl]-L-phenylalanyl]amino]-1-oxohexyl]-L-tyrosyl]-L-leucine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1174.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.0±3.0 kJ/mol
Flash Point: 664.0±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 219.7±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 9.57
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 692.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement