ChemSpider 2D Image | N~2~-{(3S)-3-[Formyl(hydroxy)amino]-2-isobutyl-4-methylpentanoyl}-N-2-pyridinyl-L-isoleucinamide | C22H36N4O4

N2-{(3S)-3-[Formyl(hydroxy)amino]-2-isobutyl-4-methylpentanoyl}-N-2-pyridinyl-L-isoleucinamide

  • Molecular FormulaC22H36N4O4
  • Average mass420.546 Da
  • Monoisotopic mass420.273651 Da
  • ChemSpider ID23195394

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

N2-[(3S)-3-[formyl(hydroxy)amino]-4-methyl-2-(2-methylpropyl)pentanoyl]-N-pyridin-2-yl-L-isoleucinamide
N2-{(3S)-3-[Formyl(hydroxy)amino]-2-isobutyl-4-methylpentanoyl}-N-2-pyridinyl-L-isoleucinamid [German] [ACD/IUPAC Name]
N2-{(3S)-3-[Formyl(hydroxy)amino]-2-isobutyl-4-methylpentanoyl}-N-2-pyridinyl-L-isoleucinamide [ACD/IUPAC Name]
N2-{(3S)-3-[Formyl(hydroxy)amino]-2-isobutyl-4-méthylpentanoyl}-N-2-pyridinyl-L-isoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 3-(formylhydroxyamino)-4-methyl-2-(2-methylpropyl)-N-[(1S,2S)-2-methyl-1-[(2-pyridinylamino)carbonyl]butyl]-, (3S)- [ACD/Index Name]
(S)-3-(Formyl-hydroxy-amino)-2-isobutyl-4-methyl-pentanoic acid [(1S,2S)-2-methyl-1-(pyridin-2-ylcarbamoyl)-butyl]-amide
212609-68-2 [RN]
CHEMBL111262

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

GW-3333 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.30
ACD/KOC (pH 5.5): 780.53
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 70.80
ACD/KOC (pH 7.4): 714.91
Polar Surface Area: 112 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement