ChemSpider 2D Image | (2S)-N-{(2S,3R)-3-Hydroxy-4-[({3-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(isobutyl)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-[({3-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(isobutyl)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 ID9995731

  • Double-bond stereo - Double-bond stereo

    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-[({3-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(isobutyl)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-[({3-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(isobutyl)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-[({3-[(E)-(hydroxyimino)méthyl]phényl}sulfonyl)(isobutyl)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-[[[3-[(E)-(hydroxyimino)methyl]phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2- oxo-, (αS)- [ACD/Index Name]
1-Imidazolidineacetamide, N-[(1S,2R)-2-hydroxy-3-[[[3-[(E)-(hydroxyimino)methyl]phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-α-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (αS)-
benzenesulfonamide analog 23

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

AIDS284397 [DBID]
AIDS-284397 [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: 1.636
Molar Refractivity: 190.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3122.64
ACD/KOC (pH 5.5): 11038.15
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3121.99
ACD/KOC (pH 7.4): 11035.86
Polar Surface Area: 192 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 530.6±7.0 cm3

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