ChemSpider 2D Image | Methyl [(2S)-1-{2-(3-{(3S,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}propyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate | C43H51N5O6

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

  • Molecular FormulaC43H51N5O6
  • Average mass733.895 Da
  • Monoisotopic mass733.383911 Da
  • ChemSpider ID28509492

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-1-{2-(3-{(3S,4S)-3-Benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-2-oxo-3-pyrrolidinyl}propyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de mét hyle [French] [ACD/IUPAC Name]
Methyl ((S)-1-(2-(3-((3s,4s)-3-Benzyl-4-Hydroxy-1-((1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl)-2-Oxopyrrolidin-3-Yl)propyl)-2-(4-(Pyridin-4-Yl)benzyl)hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl)carbamate
Methyl [(2S)-1-{2-(3-{(3S,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}propyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-(3-{(3S,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-3-pyrrolidinyl}propyl)-2-[4-(4-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
QG9

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: 1.621
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 971.00
ACD/KOC (pH 5.5): 3643.71
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2475.80
ACD/KOC (pH 7.4): 9290.51
Polar Surface Area: 144 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 586.9±3.0 cm3

Click to predict properties on the Chemicalize site


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