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-(3-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred
 name) | C39H45N5O6

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-(3-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name)

  • Molecular FormulaC39H45N5O6
  • Average mass679.805 Da
  • Monoisotopic mass679.336975 Da
  • ChemSpider ID9846732
  • 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-(3-pyridinyl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-prefe rred name) [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-(3-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name) [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-(3-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
4AH
CHEMBL206467

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 4905.41
ACD/KOC (pH 5.5): 14135.65
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6372.02
ACD/KOC (pH 7.4): 18361.89
Polar Surface Area: 153 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 522.2±5.0 cm3

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