ChemSpider 2D Image | (2S)-N-[(2S,3R)-4-{[(4-Formamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-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)-4-{[(4-Formamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-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 ID4442183

  • 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-Formamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-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)-4-{[(4-Formamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-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)-4-{[(4-Formamidophényl)sulfonyl](isobutyl)amino}-3-hydroxy-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]
(2S)-N-{(2S,3R)-4-[{[4-(formylamino)phenyl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide
1-Imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(formylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS )- [ACD/Index Name]
1-imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(formylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS)-
(S)-N-{(1S,2R)-1-Benzyl-3-[(4-formylamino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-3-methyl-2-[3-(2-methyl-thiazol-4-ylmethyl)-2-oxo-imidazolidin-1-yl]-butyramide
1-Imidazolidineacetamide, N-[(1S,2R)-3-[[[4-(formylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-α-.(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS)-
benzenesulfonamide analog 9

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

AIDS284383 [DBID]
AIDS-284383 [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: 1.616
Molar Refractivity: 187.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.71
ACD/KOC (pH 5.5): 4649.88
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 940.38
ACD/KOC (pH 7.4): 4673.12
Polar Surface Area: 189 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 537.6±3.0 cm3

Click to predict properties on the Chemicalize site


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