ChemSpider 2D Image | (2S)-6-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-(isobutyl-(p-tolylsulfonyl)amino)hexanoic acid | C38H51N3O8S

(2S)-6-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-(isobutyl-(p-tolylsulfonyl)amino)hexanoic acid

  • Molecular FormulaC38H51N3O8S
  • Average mass709.892 Da
  • Monoisotopic mass709.339661 Da
  • ChemSpider ID444081

  • 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-tert-butoxycarbonyl-O-benzyl-L-tyrosyl)-L-lysine

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

AIDS180153 [DBID]
AIDS-180153 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 194.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 234.04
ACD/KOC (pH 5.5): 438.35
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 15.16
Polar Surface Area: 160 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 594.8±3.0 cm3

Click to predict properties on the Chemicalize site


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