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Search term: JMCYOVXEMFWTCO-JSFOLGEGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,4S)-2-Benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxo-1-pyrrolidinyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide | C39H42N2O4

(2R,4S)-2-Benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxo-1-pyrrolidinyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

  • Molecular FormulaC39H42N2O4
  • Average mass602.762 Da
  • Monoisotopic mass602.314453 Da
  • ChemSpider ID13095898

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4S)-2-Benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxo-1-pyrrolidinyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamid [German] [ACD/IUPAC Name]
(2R,4S)-2-Benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxo-1-pyrrolidinyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide [ACD/IUPAC Name]
(2R,4S)-2-Benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxo-1-pyrrolidinyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]pentanamide [French] [ACD/IUPAC Name]
(2R,4S)-2-Benzyl-5-((3R,5R)-3,5-dibenzyl-2-oxo-pyrrolidin-1-yl)-4-hydroxy-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
(2R,4S)-2-benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (non-preferred name)
pyrrolidinone scaffold 8c

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

Density: 1.3±0.1 g/cm3
Boiling Point: 869.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 479.6±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18312.57
ACD/KOC (pH 5.5): 39161.80
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18312.59
ACD/KOC (pH 7.4): 39161.84
Polar Surface Area: 90 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 478.7±5.0 cm3

Click to predict properties on the Chemicalize site


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