ChemSpider 2D Image | N-[(4S,5S,7R)-8-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-3-[(benzylsulfonyl)(methyl)amino]-5-methylbenzamide | C38H52N4O6S

N-[(4S,5S,7R)-8-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-3-[(benzylsulfonyl)(methyl)amino]-5-methylbenzamide

  • Molecular FormulaC38H52N4O6S
  • Average mass692.908 Da
  • Monoisotopic mass692.360779 Da
  • ChemSpider ID9608820

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-[[(1S)-2-methyl-1-[[(phenylmethyl)amino]carbonyl]propyl]amino]-1-(2-methylpropyl)-5-oxopentyl]-3-methyl-5-[methyl[(phenylmethyl)sulfonyl]amino]- [ACD/Index Name]
N-[(4S,5S,7R)-8-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-3-[(benzylsulfonyl)(methyl)amino]-5-methylbenzamid [German] [ACD/IUPAC Name]
N-[(4S,5S,7R)-8-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-3-[(benzylsulfonyl)(methyl)amino]-5-methylbenzamide [ACD/IUPAC Name]
N-[(4S,5S,7R)-8-{[(2S)-1-(Benzylamino)-3-méthyl-1-oxo-2-butanyl]amino}-5-hydroxy-2,7-diméthyl-8-oxo-4-octanyl]-3-[(benzylsulfonyl)(méthyl)amino]-5-méthylbenzamide [French] [ACD/IUPAC Name]

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: 1.577
Molar Refractivity: 194.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5289.75
ACD/KOC (pH 5.5): 16100.05
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5289.75
ACD/KOC (pH 7.4): 16100.05
Polar Surface Area: 153 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 585.7±3.0 cm3

Click to predict properties on the Chemicalize site


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