ChemSpider 2D Image | Methyl [(2s)-1-(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}-2-[4-(Pyridin-4-Yl)benzyl]hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate | C43H58N6O6

Methyl [(2s)-1-(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}-2-[4-(Pyridin-4-Yl)benzyl]hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl]carbamate

  • Molecular FormulaC43H58N6O6
  • Average mass754.957 Da
  • Monoisotopic mass754.441772 Da
  • ChemSpider ID35035670

  • 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-(4-pyridinyl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl [(2s)-1-(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}-2-[4-(Pyridin-4-Yl)benzyl]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-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non -preferred name) [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-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non- preferred name) [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 9229.40
ACD/KOC (pH 5.5): 18272.70
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23486.67
ACD/KOC (pH 7.4): 46499.78
Polar Surface Area: 162 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 663.7±3.0 cm3

Click to predict properties on the Chemicalize site


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