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ChemSpider 2D Image | N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boryl]propyl}-4-(1-isoquinolinyloxy)-L-prolinamide | C29H40BN4O8


  • Molecular FormulaC29H40BN4O8
  • Average mass583.461 Da
  • Monoisotopic mass583.294495 Da
  • ChemSpider ID25057371
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

L-Prolinamide, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-N-[(1R)-1-borono-3-hydroxypropyl]-4-(1-isoquinolinyloxy)-, ion(1-), (4R)- [ACD/Index Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boryl]propyl}-4-(1-isochinolinyloxy)-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boryl]propyl}-4-(1-isoquinolinyloxy)-L-prolinamide [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-méthyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxydo)boryl]propyl}-4-(1-isoquinoléinyloxy)-L-prolinamide [French] [ACD/IUPAC Name]

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 103.29
ACD/KOC (pH 5.5): 898.38
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 129.83
ACD/KOC (pH 7.4): 1129.14
Polar Surface Area: 173 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site