ChemSpider 2D Image | N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide | C35H47N5O6S

N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID28669442

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(2-methylpropyl)amino]carbonyl]propyl]amino]-1-(phenylmethyl)ethyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]- [ACD/Index Name]
N-[(2s)-1-({(2s,3r)-3-Hydroxy-1-[(2-Methylpropyl)amino]-1-Oxobutan-2-Yl}amino)-3-Phenylpropan-2-Yl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide
N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(isobutylamino)-1-oxo-2-butanyl]amino}-3-phényl-2-propanyl]-5-[méthyl(méthylsulfonyl)amino]-N'-[(1R)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide [ACD/IUPAC Name]
0GH

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: 1.588
Molar Refractivity: 184.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 77.80
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 79.29
ACD/KOC (pH 7.4): 768.80
Polar Surface Area: 165 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 546.6±3.0 cm3

Click to predict properties on the Chemicalize site


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