ChemSpider 2D Image | Methyl [(1s)-1-({2-[(4r)-4-Benzyl-4-Hydroxy-5-{[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]amino}-5-Oxopentanoyl]-2-(4-Bromobenzyl)hydrazino}carbonyl)-2,2-Dimethylpropyl]carbamate | C36H43BrN4O7

Methyl [(1s)-1-({2-[(4r)-4-Benzyl-4-Hydroxy-5-{[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]amino}-5-Oxopentanoyl]-2-(4-Bromobenzyl)hydrazino}carbonyl)-2,2-Dimethylpropyl]carbamate

  • Molecular FormulaC36H43BrN4O7
  • Average mass723.653 Da
  • Monoisotopic mass722.231506 Da
  • ChemSpider ID23325573

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{2-[(4R)-4-Benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl [(1s)-1-({2-[(4r)-4-Benzyl-4-Hydroxy-5-{[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]amino}-5-Oxopentanoyl]-2-(4-Bromobenzyl)hydrazino}carbonyl)-2,2-Dimethylpropyl]carbamate
Methyl [(2S)-1-{2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-preferred name ) [ACD/IUPAC Name]
methyl [(2S)-1-{2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate (non-preferred name)
Methyl-[(2S)-1-{2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-brombenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
((S)-1-{N'-(4-bromo-benzyl)-N'-[(R)-4-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentanoyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL438010/
HV1

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 185.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2672.91
ACD/KOC (pH 5.5): 9870.80
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2672.17
ACD/KOC (pH 7.4): 9868.06
Polar Surface Area: 157 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 513.2±5.0 cm3

Click to predict properties on the Chemicalize site


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