ChemSpider 2D Image | N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(isopropylamino)-3-methyl-1-oxo-2-butanyl]amino}-2,7-dimethyl-8-oxo-4-octanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1S)-1-phenylethyl]isophthalamide | C36H55N5O7S

N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(isopropylamino)-3-methyl-1-oxo-2-butanyl]amino}-2,7-dimethyl-8-oxo-4-octanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1S)-1-phenylethyl]isophthalamide

  • Molecular FormulaC36H55N5O7S
  • Average mass701.916 Da
  • Monoisotopic mass701.382202 Da
  • ChemSpider ID17592235
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1,3-Benzenedicarboxamide, N1-[(1S,2S,4R)-2-hydroxy-4-methyl-5-[[(1S)-2-methyl-1-[[(1-methylethyl)amino]carbonyl]propyl]amino]-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1 S)-1-phenylethyl]- [ACD/Index Name]
1,3-benzenedicarboxamide, N1-[(1S,2S,4R)-2-hydroxy-4-methyl-5-[[(1S)-2-methyl-1-[[(1-methylethyl)amino]carbonyl]propyl]amino]-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1S)-1-phenylethyl]-
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-{[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino}-8-oxooctan-4-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide
N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(isopropylamino)-3-méthyl-1-oxo-2-butanyl]amino}-2,7-diméthyl-8-oxo-4-octanyl]-5-[méthyl(méthylsulfonyl)amino]-N'-[(1S)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(isopropylamino)-3-methyl-1-oxo-2-butanyl]amino}-2,7-dimethyl-8-oxo-4-octanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1S)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(isopropylamino)-3-methyl-1-oxo-2-butanyl]amino}-2,7-dimethyl-8-oxo-4-octanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1S)-1-phenylethyl]isophthalamide [ACD/IUPAC Name]
N1-((4S,5S,7R)-5-hydroxy-8-((S)-1-(isopropylamino)-3-methyl-1-oxobutan-2-ylamino)-2,7-dimethyl-8-oxooctan-4-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((S)-1-phenylethyl)isophthalamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.552
Molar Refractivity: 191.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.68
ACD/KOC (pH 5.5): 1677.16
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.68
ACD/KOC (pH 7.4): 1677.16
Polar Surface Area: 182 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 599.7±3.0 cm3

Click to predict properties on the Chemicalize site






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