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-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred na me) | C40H46N4O6

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-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred na me)

  • Molecular FormulaC40H46N4O6
  • Average mass678.816 Da
  • Monoisotopic mass678.341736 Da
  • ChemSpider ID9702416

  • 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-biphénylylméthyl)hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-preferre d 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-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred na me) [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-(biphenyl-4-ylmethyl)hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate (non-preferred 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-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-preferred nam e) [German] [ACD/IUPAC Name]
{(1S)-1-[N'-(biphenyl-4-yl-methyl)-N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
CHEMBL202963

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 192.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44298.69
ACD/KOC (pH 5.5): 73652.26
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44291.50
ACD/KOC (pH 7.4): 73640.38
Polar Surface Area: 140 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 529.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement