ChemSpider 2D Image | N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-(diaminomethylene)-L-ornithinamide | C35H67N11O8

N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N5-(diaminomethylene)-L-ornithinamide

  • Molecular FormulaC35H67N11O8
  • Average mass769.975 Da
  • Monoisotopic mass769.517395 Da
  • ChemSpider ID8298773

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

L-Ornithinamide, N-[(2S)-2-[[(2S)-2-[[(2S)-2-(acetylamino)-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]hexyl]-L-norleucyl-L-glutaminyl-N5-(diaminomethylene)- [ACD/Index Name]
N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N5-(diaminomethylen)-L-ornithinamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N5-(diaminomethylene)-L-ornithinamide [ACD/IUPAC Name]
N-{(2S)-2-[(N-Acétyl-L-thréonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N5-(diaminométhylène)-L-ornithinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 198.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 587.3±7.0 cm3

Click to predict properties on the Chemicalize site


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