ChemSpider 2D Image | isobutyl N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate | C32H47N5O6S

isobutyl N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID444187

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S, 2'S) 2-N-(4-aminobenzenesulfonyl)-2-N-isobutyl-6-N-(N'α-isobutoxycarbonyl-S-tryptophanyl)-2,6-diaminohexanol

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

AIDS180259 [DBID]
AIDS-180259 [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: 1.593
Molar Refractivity: 173.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 577.99
ACD/KOC (pH 5.5): 3298.27
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 577.98
ACD/KOC (pH 7.4): 3298.24
Polar Surface Area: 175 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 511.7±3.0 cm3

Click to predict properties on the Chemicalize site


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