ChemSpider 2D Image | N-[(2R)-3-({[(5S)-3,5-Dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methyl}sulfonyl)-1-oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-2-propanyl]-4-morpholinecarboxamide | C31H42N4O8S2

N-[(2R)-3-({[(5S)-3,5-Dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methyl}sulfonyl)-1-oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-2-propanyl]-4-morpholinecarboxamide

  • Molecular FormulaC31H42N4O8S2
  • Average mass662.817 Da
  • Monoisotopic mass662.244385 Da
  • ChemSpider ID20163034

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1R)-1-[[[[(5S)-2,5-dihydro-3,5-dimethyl-4-isoxazolyl]methyl]sulfonyl]methyl]-2-oxo-2-[[(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl]amino]ethyl]- [ACD/Index Name]
N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE
N-[(2R)-3-({[(5S)-3,5-Dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methyl}sulfonyl)-1-oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-2-propanyl]-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-3-({[(5S)-3,5-Dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methyl}sulfonyl)-1-oxo-1-{[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-2-propanyl]-4-morpholinecarboxamide [ACD/IUPAC Name]
N-[(2R)-3-({[(5S)-3,5-Diméthyl-2,5-dihydro-1,2-oxazol-4-yl]méthyl}sulfonyl)-1-oxo-1-{[(3S)-1-phényl-5-(phénylsulfonyl)-3-pentanyl]amino}-2-propanyl]-4-morpholinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.03
ACD/KOC (pH 5.5): 275.80
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.01
ACD/KOC (pH 7.4): 275.52
Polar Surface Area: 177 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 516.3±3.0 cm3

Click to predict properties on the Chemicalize site


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