ChemSpider 2D Image | (2S)-N-[(2S,3R)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-{3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,4-dioxo-1-imidazolidinyl}-3-methylbutanamide | C34H46N6O6S2

(2S)-N-[(2S,3R)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-{3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,4-dioxo-1-imidazolidinyl}-3-methylbutanamide

  • Molecular FormulaC34H46N6O6S2
  • Average mass698.896 Da
  • Monoisotopic mass698.292053 Da
  • ChemSpider ID17233027

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(2S,3R)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-{3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,4-dioxo-1-imidazolidinyl}-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-{3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,4-dioxo-1-imidazolidinyl}-3-methylbutanamide [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]-2-{3-[(2-éthyl-1,3-thiazol-4-yl)méthyl]-2,4-dioxo-1-imidazolidinyl}-3-méthylbutanamide [French] [ACD/IUPAC Name]
1-Imidazolidineacetamide, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-[(2-ethyl-4-thiazolyl)methyl]-α-(1-methylethyl)-2,4-dioxo-, (αS)- [ACD/Index Name]

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: 1.617
Molar Refractivity: 187.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 715.60
ACD/KOC (pH 5.5): 3845.38
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 715.80
ACD/KOC (pH 7.4): 3846.45
Polar Surface Area: 203 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 536.2±3.0 cm3

Click to predict properties on the Chemicalize site


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