ChemSpider 2D Image | N-[7-({6-[(6-{[(1R,3r)-Adamantan-1-ylacetyl]amino}hexanoyl)amino]hexanoyl}amino)heptanoyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide | C51H92N6O8S

N-[7-({6-[(6-{[(1R,3r)-Adamantan-1-ylacetyl]amino}hexanoyl)amino]hexanoyl}amino)heptanoyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide

  • Molecular FormulaC51H92N6O8S
  • Average mass949.377 Da
  • Monoisotopic mass948.669739 Da
  • ChemSpider ID79715504

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

L-Leucinamide, N-[1-oxo-7-[[1-oxo-6-[[1-oxo-6-[[2-[(1R)-tricyclo[3.3.1.13,7]dec-1-yl]acetyl]amino]hexyl]amino]hexyl]amino]heptyl]-L-leucyl-N-[(1S)-3-methyl-1-[2-(methylsulfonyl)ethyl]butyl]- [ACD/Index Name]
N-[7-({6-[(6-{[(1R,3r)-Adamantan-1-ylacetyl]amino}hexanoyl)amino]hexanoyl}amino)heptanoyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[7-({6-[(6-{[(1R,3r)-Adamantan-1-ylacetyl]amino}hexanoyl)amino]hexanoyl}amino)heptanoyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide [ACD/IUPAC Name]
N-{7-[(6-{[6-({2-[(1R,3r)-Adamantan-1-yl]acétyl}amino)hexanoyl]amino}hexanoyl)amino]heptanoyl}-L-leucyl-N-[(3S)-5-méthyl-1-(méthylsulfonyl)-3-hexanyl]-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1162.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.3±3.0 kJ/mol
Flash Point: 656.7±34.3 °C
Index of Refraction: 1.514
Molar Refractivity: 263.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9804.96
ACD/KOC (pH 5.5): 25025.85
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9804.96
ACD/KOC (pH 7.4): 25025.85
Polar Surface Area: 217 Å2
Polarizability: 104.4±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 874.4±3.0 cm3

Click to predict properties on the Chemicalize site


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