ChemSpider 2D Image | (2R,3R)-N~1~-[(2S)-3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N~4~-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}succinamide | C20H33N5O5S

(2R,3R)-N1-[(2S)-3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N4-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}succinamide

  • Molecular FormulaC20H33N5O5S
  • Average mass455.572 Da
  • Monoisotopic mass455.220245 Da
  • ChemSpider ID25060683
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE
(2R,3R)-N1-[(2S)-3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N4-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}succinamid [German] [ACD/IUPAC Name]
(2R,3R)-N1-[(2S)-3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N4-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}succinamide [ACD/IUPAC Name]
(2R,3R)-N1-[(2S)-3,3-Diméthyl-1-(méthylamino)-1-oxo-2-butanyl]-N4-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]méthyl}succinamide [French] [ACD/IUPAC Name]
1380575-69-8 [RN]
Butanediamide, N1-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-N4-hydroxy-2-(2-methylpropyl)-3-[[(2-thiazolylcarbonyl)amino]methyl]-, (2R,3R)- [ACD/Index Name]
Butanediamide, N1-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-N4-hydroxy-2-(2-methylpropyl)-3-[[(2-thiazolylcarbonyl)amino]methyl]-, (2R,3R)-
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]butanediamide
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]succinamide
(2r,3r)-N^1^-[(1s)-2,2-Dimethyl-1-(Methylcarbamoyl)propyl]-N^4^-Hydroxy-2-(2-Methylpropyl)-3-{[(1,3-Thiazol-2-Ylcarbonyl)amino]methyl} Butanediamide

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: 1.539
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.27
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.04
Polar Surface Area: 178 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 377.0±3.0 cm3

Click to predict properties on the Chemicalize site






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