ChemSpider 2D Image | Methyl [(2S)-1-{2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-[4-(2-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name) | C40H47N5O6

Methyl [(2S)-1-{2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-[4-(2-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name)

  • Molecular FormulaC40H47N5O6
  • Average mass693.831 Da
  • Monoisotopic mass693.352661 Da
  • ChemSpider ID24641268

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{2-[(3S)-3-Benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-4-oxobutyl]-2-[4-(2-pyridinyl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-prefer red name) [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-[4-(2-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name) [ACD/IUPAC Name]
Methyl-[(2S)-1-{2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-[4-(2-pyridinyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-preferred n ame) [German] [ACD/IUPAC Name]
{(S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acidmethyl ester
5AH
Methyl [(1s)-1-({2-[(3s)-3-Benzyl-3-Hydroxy-4-{[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]amino}-4-Oxobutyl]-2-(4-Pyridin-2-Ylbenzyl)hydrazino}carbonyl)-2,2-Dimethylpropyl]carbamate

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: 1.646
Molar Refractivity: 195.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4422.80
ACD/KOC (pH 5.5): 13631.27
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5040.05
ACD/KOC (pH 7.4): 15533.66
Polar Surface Area: 153 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 538.2±5.0 cm3

Click to predict properties on the Chemicalize site


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