ChemSpider 2D Image | Methyl ((S)-1-(2-([1,1'-Biphenyl]-4-Ylmethyl)-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)hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl)carbamate | C44H52N4O6

Methyl ((S)-1-(2-([1,1'-Biphenyl]-4-Ylmethyl)-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)hydrazinyl)-3,3-Dimethyl-1-Oxobutan-2-Yl)carbamate

  • Molecular FormulaC44H52N4O6
  • Average mass732.907 Da
  • Monoisotopic mass732.388672 Da
  • ChemSpider ID28528571

  • 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-biphénylylméthyl)hydrazino]-3,3-diméthyl-1-oxo-2-butanyl}carbamate de méthyl e [French] [ACD/IUPAC Name]
Methyl ((S)-1-(2-([1,1'-Biphenyl]-4-Ylmethyl)-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)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-biphenylylmethyl)hydrazino]-3,3-dimethyl-1-oxo-2-butanyl}carbamate (n on-preferred name) [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-biphenylylmethyl)hydrazino]-3,3-dimethyl-1-oxo-2-butanyl}carbamat (no n-preferred name) [German] [ACD/IUPAC Name]
QG8

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 208.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16205.80
ACD/KOC (pH 5.5): 35877.56
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16205.79
ACD/KOC (pH 7.4): 35877.52
Polar Surface Area: 131 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 593.7±3.0 cm3

Click to predict properties on the Chemicalize site


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