ChemSpider 2D Image | N-[(2S)-2-Ammonio-3-phenylpropanoyl]-L-phenylalanylglycyl-L-leucyl-L-methioninamide | C31H45N6O5S

N-[(2S)-2-Ammonio-3-phenylpropanoyl]-L-phenylalanylglycyl-L-leucyl-L-methioninamide

  • Molecular FormulaC31H45N6O5S
  • Average mass613.791 Da
  • Monoisotopic mass613.316650 Da
  • ChemSpider ID128920172

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Methioninamide, L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-, conjugate monoacid [ACD/Index Name]
N-[(2S)-2-Ammonio-3-phenylpropanoyl]-L-phenylalanylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Ammonio-3-phenylpropanoyl]-L-phenylalanylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
N-[(2S)-2-Ammonio-3-phénylpropanoyl]-L-phénylalanylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
FFGLM-NH2(1+)
H-Phe-Phe-Gly-Leu-Met-NH2(1+)
L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2(1+)
L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide cation
L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide(1+)
More...
  • Miscellaneous

    • Chemical Class:

      A peptide cation that is the conjugate acid of L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2, arising from the protonation of the N-terminal amino group. Major species at pH 7.3. ChEBI CHEBI:190697

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

Density:
Boiling Point: 1003.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 560.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 14.89
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 19.88
ACD/KOC (pH 7.4): 274.77
Polar Surface Area: 212 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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