ChemSpider 2D Image | (2S)-1-(N-{(2S)-2-[(N-Acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-ammonio-L-norleucyl)-2-pyrrolidinecarboxylate | C20H32N5O9

(2S)-1-(N-{(2S)-2-[(N-Acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-ammonio-L-norleucyl)-2-pyrrolidinecarboxylate

  • Molecular FormulaC20H32N5O9
  • Average mass486.497 Da
  • Monoisotopic mass486.220551 Da
  • ChemSpider ID128920174

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-1-(N-{(2S)-2-[(N-Acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-ammonio-L-norleucyl)-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S)-1-(N-{(2S)-2-[(N-Acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-ammonio-L-norleucyl)-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
(2S)-1-(N-{(2S)-2-[(N-Acétyl-L-séryl)amino]-3-carboxylatopropanoyl}-6-ammonio-L-norleucyl)-2-pyrrolidinecarboxylate [French] [ACD/IUPAC Name]
L-Proline, N-acetyl-L-seryl-L-α-aspartyl-L-lysyl-, inner salt, ion(1-) [ACD/Index Name]
(2S)-1-(N-{(2S)-2-[(N-acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-azaniumyl-L-norleucyl)pyrrolidine-2-carboxylate
AcSDKP(1-)
Ac-SDKP(1-)
Ac-Ser-Asp-Lys-Pro(1-)
goralatide [INN]
goralatide(1-)
More...
  • Miscellaneous

    • Chemical Class:

      A peptide anion obtained by removal of protons from the two carboxy groups as well as protonation of the primary amino group of goralatide; major species at pH 7.3. ChEBI CHEBI:190701

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

Density:
Boiling Point: 992.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.9±6.0 kJ/mol
Flash Point: 553.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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