ChemSpider 2D Image | (2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(2'-sulfamoyl-4-biphenylyl)hexanoic acid | C30H43N3O6S

(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(2'-sulfamoyl-4-biphenylyl)hexanoic acid

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID9016159

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(2'-sulfamoyl-4-biphenylyl)hexanoic acid [ACD/IUPAC Name]
(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(2'-sulfamoyl-4-biphenylyl)hexansäure [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-hexanoic acid, 2'-(aminosulfonyl)-α-butyl-γ-[[[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-, (αS,γR)- [ACD/Index Name]
Acide (2S,4R)-2-butyl-4-{[(2S)-3,3-diméthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamoyl}-6-(2'-sulfamoyl-4-biphénylyl)hexanoïque [French] [ACD/IUPAC Name]
(2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-(2'-sulfamoyl-biphenyl-4-yl)-hexanoic acid
(2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl}-6-(2'-sulfamoylbiphenyl-4-yl)hexanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL266294/

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: 1.554
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 61.00
ACD/KOC (pH 5.5): 347.10
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.44
Polar Surface Area: 164 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 488.3±3.0 cm3

Click to predict properties on the Chemicalize site


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