ChemSpider 2D Image | Methyl {(2s)-1-[2-(Biphenyl-4-Ylmethyl)-2-{(4r)-4-Hydroxy-5-{[(2s)-3-Methyl-1-Oxo-1-(Prop-2-En-1-Ylamino)butan-2-Yl]amino}-5-Oxo-4-[4-(Prop-2-En-1-Yl)benzyl]pentyl}hydrazinyl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate | C44H59N5O6

Methyl {(2s)-1-[2-(Biphenyl-4-Ylmethyl)-2-{(4r)-4-Hydroxy-5-{[(2s)-3-Methyl-1-Oxo-1-(Prop-2-En-1-Ylamino)butan-2-Yl]amino}-5-Oxo-4-[4-(Prop-2-En-1-Yl)benzyl]pentyl}hydrazinyl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate

  • Molecular FormulaC44H59N5O6
  • Average mass753.969 Da
  • Monoisotopic mass753.446533 Da
  • ChemSpider ID35034047
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(2S)-1-{2-[(4R)-5-{[(2S)-1-(Allylamino)-3-méthyl-1-oxo-2-butanyl]amino}-4-(4-allylbenzyl)-4-hydroxy-5-oxopentyl]-2-(4-biphénylylméthyl)hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (no n-preferred name) [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-[(4R)-5-{[(2S)-1-(allylamino)-3-methyl-1-oxo-2-butanyl]amino}-4-(4-allylbenzyl)-4-hydroxy-5-oxopentyl]-2-(4-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-pr eferred name) [ACD/IUPAC Name]
Methyl {(2s)-1-[2-(Biphenyl-4-Ylmethyl)-2-{(4r)-4-Hydroxy-5-{[(2s)-3-Methyl-1-Oxo-1-(Prop-2-En-1-Ylamino)butan-2-Yl]amino}-5-Oxo-4-[4-(Prop-2-En-1-Yl)benzyl]pentyl}hydrazinyl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate
Methyl-[(2S)-1-{2-[(4R)-5-{[(2S)-1-(allylamino)-3-methyl-1-oxo-2-butanyl]amino}-4-(4-allylbenzyl)-4-hydroxy-5-oxopentyl]-2-(4-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-pre ferred name) [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 217.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 143204.38
ACD/KOC (pH 5.5): 170556.50
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 143251.23
ACD/KOC (pH 7.4): 170612.50
Polar Surface Area: 149 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 670.5±3.0 cm3

Click to predict properties on the Chemicalize site






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