ChemSpider 2D Image | 4-{[(2R,3S)-2-Hydroxy-3-{[(2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanoyl]amino}-4-phenylbutyl](isobutyl)sulfamoyl}benzamide | C34H46N6O6S2

4-{[(2R,3S)-2-Hydroxy-3-{[(2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanoyl]amino}-4-phenylbutyl](isobutyl)sulfamoyl}benzamide

  • Molecular FormulaC34H46N6O6S2
  • Average mass698.896 Da
  • Monoisotopic mass698.292053 Da
  • ChemSpider ID4442189

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(aminocarbonyl)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (alph aS)- [ACD/Index Name]
1-imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(aminocarbonyl)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS)-
4-{[(2R,3S)-2-Hydroxy-3-{[(2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanoyl]amino}-4-phenylbutyl](isobutyl)sulfamoyl}benzamid [German] [ACD/IUPAC Name]
4-{[(2R,3S)-2-Hydroxy-3-{[(2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanoyl]amino}-4-phenylbutyl](isobutyl)sulfamoyl}benzamide [ACD/IUPAC Name]
4-{[(2R,3S)-2-Hydroxy-3-{[(2S)-3-méthyl-2-{3-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-2-oxo-1-imidazolidinyl}butanoyl]amino}-4-phénylbutyl](isobutyl)sulfamoyl}benzamide [French] [ACD/IUPAC Name]
4-{[(2R,3S)-2-hydroxy-3-{[(2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanoyl]amino}-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzamide
1-Imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(aminocarbonyl)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS)-
4-[((2R,3S)-2-Hydroxy-3-{(S)-3-methyl-2-[3-(2-methyl-thiazol-4-ylmethyl)-2-oxo-imidazolidin-1-yl]-butyrylamino}-4-phenyl-butyl)-isobutyl-sulfamoyl]-benzamide
benzenesulfonamide analog 15

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

AIDS284389 [DBID]
AIDS-284389 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 187.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 442.39
ACD/KOC (pH 5.5): 2720.01
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.60
ACD/KOC (pH 7.4): 2733.60
Polar Surface Area: 203 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 539.6±3.0 cm3

Click to predict properties on the Chemicalize site


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