ChemSpider 2D Image | (2R,3R)-N~4~-{(2S)-6-Amino-1-oxo-1-[(2-phenylethyl)amino]-2-hexanyl}-N~1~,2-dihydroxy-2-methyl-3-(3-phenylpropyl)succinamide | C28H40N4O5

(2R,3R)-N4-{(2S)-6-Amino-1-oxo-1-[(2-phenylethyl)amino]-2-hexanyl}-N1,2-dihydroxy-2-methyl-3-(3-phenylpropyl)succinamide

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID23238448

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-N4-{(2S)-6-Amino-1-oxo-1-[(2-phenylethyl)amino]-2-hexanyl}-N1,2-dihydroxy-2-methyl-3-(3-phenylpropyl)succinamid [German] [ACD/IUPAC Name]
(2R,3R)-N4-{(2S)-6-Amino-1-oxo-1-[(2-phenylethyl)amino]-2-hexanyl}-N1,2-dihydroxy-2-methyl-3-(3-phenylpropyl)succinamide [ACD/IUPAC Name]
(2R,3R)-N4-{(2S)-6-Amino-1-oxo-1-[(2-phényléthyl)amino]-2-hexanyl}-N1,2-dihydroxy-2-méthyl-3-(3-phénylpropyl)succinamide [French] [ACD/IUPAC Name]
(2R,3R)-N4-{(2S)-6-amino-1-oxo-1-[(2-phenylethyl)amino]hexan-2-yl}-N1,2-dihydroxy-2-methyl-3-(3-phenylpropyl)butanediamide
Butanediamide, N4-[(1S)-5-amino-1-[[(2-phenylethyl)amino]carbonyl]pentyl]-N1,2-dihydroxy-2-methyl-3-(3-phenylpropyl)-, (2R,3R)- [ACD/Index Name]
(2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pentyl)-2,N*1*-dihydroxy-2-methyl-3-(3-phenyl-propyl)-succinamide
CHEMBL167233

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: 1.575
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 431.3±3.0 cm3

Click to predict properties on the Chemicalize site


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