ChemSpider 2D Image | 4-Benzoyl-N-{(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-phenylalanyl-N~6~-5-hexynoyllysinamide | C36H47N5O8

4-Benzoyl-N-{(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-phenylalanyl-N6-5-hexynoyllysinamide

  • Molecular FormulaC36H47N5O8
  • Average mass677.787 Da
  • Monoisotopic mass677.342468 Da
  • ChemSpider ID4911283

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4-Benzoyl-N-{(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-phenylalanyl-N6-5-hexynoyllysinamid [German] [ACD/IUPAC Name]
4-Benzoyl-N-{(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-phenylalanyl-N6-5-hexynoyllysinamide [ACD/IUPAC Name]
4-Benzoyl-N-{(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoéthyl]-4-méthylpentanoyl}-L-phénylalanyl-N6-5-hexynoyllysinamide [French] [ACD/IUPAC Name]
Lysinamide, 4-benzoyl-N-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-L-phenylalanyl-N6-(1-oxo-5-hexyn-1-yl)- [ACD/Index Name]

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

nchembio781-comp8 [DBID]

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: 1.572
Molar Refractivity: 181.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.55
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 85.78
Polar Surface Area: 217 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 552.2±3.0 cm3

Click to predict properties on the Chemicalize site


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