ChemSpider 2D Image | (2S)-N-[(2S,3R)-3-Hydroxy-4-(isobutyl{[4-(nitrosomethyl)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanamide | C34H46N6O6S2

(2S)-N-[(2S,3R)-3-Hydroxy-4-(isobutyl{[4-(nitrosomethyl)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanamide

  • Molecular FormulaC34H46N6O6S2
  • Average mass698.896 Da
  • Monoisotopic mass698.292053 Da
  • ChemSpider ID34450638

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(2S,3R)-3-Hydroxy-4-(isobutyl{[4-(nitrosomethyl)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-3-Hydroxy-4-(isobutyl{[4-(nitrosomethyl)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1-imidazolidinyl}butanamide [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-3-Hydroxy-4-(isobutyl{[4-(nitrosométhyl)phényl]sulfonyl}amino)-1-phényl-2-butanyl]-3-méthyl-2-{3-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-2-oxo-1-imidazolidinyl}butanamide [French] [ACD/IUPAC Name]
1-Imidazolidineacetamide, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[[4-(nitrosomethyl)phenyl]sulfonyl]amino]-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (alph aS)- [ACD/Index Name]
benzenesulfonamide analog 20

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: 1.636
Molar Refractivity: 190.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1423.12
ACD/KOC (pH 5.5): 6289.45
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1423.98
ACD/KOC (pH 7.4): 6293.27
Polar Surface Area: 189 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 530.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement