ChemSpider 2D Image | methyl (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoyl]amino]-2-(isobutyl-(p-tolylsulfonyl)amino)hexanoate | C36H46N4O7S2

methyl (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoyl]amino]-2-(isobutyl-(p-tolylsulfonyl)amino)hexanoate

  • Molecular FormulaC36H46N4O7S2
  • Average mass710.903 Da
  • Monoisotopic mass710.280762 Da
  • ChemSpider ID444072
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Nα-isobutyl-Nα-(4-methylbenzenesulfonyl)-Nε-[N'α-(4-methylbenzenesulfonyl)-L-tryptophanyl]-L-lysine methyl ester
クロトニルCoA [Japanese]

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

AIDS180135 [DBID]
AIDS-180135 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 192.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9627.93
ACD/KOC (pH 5.5): 24716.22
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9503.97
ACD/KOC (pH 7.4): 24398.01
Polar Surface Area: 172 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 564.3±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form