ChemSpider 2D Image | N-[(2S)-5-[(E)-(Amino{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}methylene)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-L-isoleucinamide | C25H40N6O5S2

N-[(2S)-5-[(E)-(Amino{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}methylene)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-L-isoleucinamide

  • Molecular FormulaC25H40N6O5S2
  • Average mass568.752 Da
  • Monoisotopic mass568.250183 Da
  • ChemSpider ID9247017

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

N-[(2S)-5-[(E)-(Amino{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}methylen)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-L-isoleucinamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(E)-(Amino{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}methylene)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-L-isoleucinamide [ACD/IUPAC Name]
N-[(2S)-5-[(E)-(Amino{[(4-méthoxy-2,3,6-triméthylphényl)sulfonyl]amino}méthylène)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-L-isoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-amino-N-[(1S)-4-[[(1E)-amino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methylene]amino]-1-(hydroxy-2-thiazolylmethyl)butyl]-3-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 7.4): 74.51
Polar Surface Area: 219 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 420.4±7.0 cm3

Click to predict properties on the Chemicalize site


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