ChemSpider 2D Image | N~2~-Acetyl-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-L-isoleucinamide | C29H43N3O6S

N2-Acetyl-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-L-isoleucinamide

  • Molecular FormulaC29H43N3O6S
  • Average mass561.733 Da
  • Monoisotopic mass561.287231 Da
  • ChemSpider ID34955294

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N2-Acetyl-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]-L-Isoleucinamide
N2-Acetyl-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-L-isoleucinamid [German] [ACD/IUPAC Name]
N2-Acetyl-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-L-isoleucinamide [ACD/IUPAC Name]
N2-Acétyl-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]-L-isoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-(acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68)
A68

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: 1.550
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1992.09
ACD/KOC (pH 5.5): 8002.81
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1992.09
ACD/KOC (pH 7.4): 8002.80
Polar Surface Area: 133 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 482.0±3.0 cm3

Click to predict properties on the Chemicalize site


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