Deprecated ChemSpider Record

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ChemSpider 2D Image | L-Phenylalanyl-L-alpha-aspartyl-L-methionyl-L-tryptophan | C29H35N5O7S

L-Phenylalanyl-L-α-aspartyl-L-methionyl-L-tryptophan

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID27470965
  • defined stereocentres - 4 of 4 defined stereocentres


More details:





Date of deprecation: 14:56, Jun 9, 2017
Reason for deprecation: Deprecate record: reverse amino acid sequence from correct one

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1038.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.1±3.0 kJ/mol
Flash Point: 582.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 436.2±3.0 cm3

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