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Search term: GTZOSACOASNOSD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl N~2~-(6-aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-methyl-L-valyl-L-leucinate | C42H70N8O6

Ethyl N2-(6-aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-methyl-L-valyl-L-leucinate

  • Molecular FormulaC42H70N8O6
  • Average mass783.055 Da
  • Monoisotopic mass782.541809 Da
  • ChemSpider ID23107344
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Ethyl N2-(6-aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-methyl-L-valyl-L-leucinate [ACD/IUPAC Name]
Ethyl-N2-(6-aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-methyl-L-valyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N2-(6-aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-methyl-L-valyl-, ethyl ester [ACD/Index Name]
N2-(6-Aminohexyl)-L-lysyl-D-prolyl-L-tryptophyl-3-méthyl-L-valyl-L-leucinate d'éthyle [French] [ACD/IUPAC Name]
(S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-(6-amino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1003.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.7±3.0 kJ/mol
Flash Point: 560.8±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 220.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 4.51
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 686.9±3.0 cm3

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