ChemSpider 2D Image | Methyl [(2S)-1-{2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate | C34H41BrN4O6

Methyl [(2S)-1-{2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC34H41BrN4O6
  • Average mass681.617 Da
  • Monoisotopic mass680.220947 Da
  • ChemSpider ID9687926

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{2-[(2S)-2-Benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-preferred nam e) [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-brombenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
1AH
CHEMBL197500

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

AIDS347656 [DBID]
AIDS-347656 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 175.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8309.72
ACD/KOC (pH 5.5): 22230.54
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8308.19
ACD/KOC (pH 7.4): 22226.47
Polar Surface Area: 140 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 484.4±5.0 cm3

Click to predict properties on the Chemicalize site


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