ChemSpider 2D Image | (2R,3S)-3-({2-[(3S)-3-(Hydroxycarbamoyl)hexanoyl]hydrazino}carbonyl)-2-isobutyl-N-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]hexanamide | C37H53N5O7

(2R,3S)-3-({2-[(3S)-3-(Hydroxycarbamoyl)hexanoyl]hydrazino}carbonyl)-2-isobutyl-N-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]hexanamide

  • Molecular FormulaC37H53N5O7
  • Average mass679.846 Da
  • Monoisotopic mass679.394470 Da
  • ChemSpider ID23269795

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S)-3-({2-[(3S)-3-(Hydroxycarbamoyl)hexanoyl]hydrazino}carbonyl)-2-isobutyl-N-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]hexanamid [German] [ACD/IUPAC Name]
(2R,3S)-3-({2-[(3S)-3-(Hydroxycarbamoyl)hexanoyl]hydrazino}carbonyl)-2-isobutyl-N-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]hexanamide [ACD/IUPAC Name]
(2R,3S)-3-({2-[(3S)-3-(Hydroxycarbamoyl)hexanoyl]hydrazino}carbonyl)-2-isobutyl-N-[(3S)-2-oxo-1-(3-phénoxybenzyl)-3-azépanyl]hexanamide [French] [ACD/IUPAC Name]
(2R,3S)-3-({2-[(3S)-3-(hydroxycarbamoyl)hexanoyl]hydrazinyl}carbonyl)-2-(2-methylpropyl)-N-[(3S)-2-oxo-1-(3-phenoxybenzyl)azepan-3-yl]hexanamide
Hexanoic acid, 3-[[[(3S)-hexahydro-2-oxo-1-[(3-phenoxyphenyl)methyl]-1H-azepin-3-yl]amino]carbonyl]-5-methyl-2-propyl-, 2-[(3S)-3-[(hydroxyamino)carbonyl]-1-oxohexyl]hydrazide, (2S,3R)- [ACD/Index Name]
(2R,3S)-3-[N'-((S)-3-Hydroxycarbamoyl-hexanoyl)-hydrazinocarbonyl]-2-isobutyl-hexanoic acid [(S)-2-oxo-1-

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: 1.581
Molar Refractivity: 187.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.01
ACD/KOC (pH 5.5): 1769.85
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.27
ACD/KOC (pH 7.4): 1749.78
Polar Surface Area: 166 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 562.1±5.0 cm3

Click to predict properties on the Chemicalize site


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