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Search term: 23144810 (Found by CSID)
ChemSpider 2D Image | L-Tyrosyl-L-isoleucyl-L-leucine | C21H33N3O5

L-Tyrosyl-L-isoleucyl-L-leucine

  • Molecular FormulaC21H33N3O5
  • Average mass407.504 Da
  • Monoisotopic mass407.242035 Da
  • ChemSpider ID23144810

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucine, L-tyrosyl-L-isoleucyl- [ACD/Index Name]
L-Tyrosyl-L-isoleucyl-L-leucin [German] [ACD/IUPAC Name]
L-Tyrosyl-L-isoleucyl-L-leucine [ACD/IUPAC Name]
L-Tyrosyl-L-isoleucyl-L-leucine [French] [ACD/IUPAC Name]
(2S)-2-({N-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]-L-isoleucyl}amino)-4-methylpentanoate
(S)-2-{(2S,3S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
60482-98-6 [RN]
H-Tyr-Ile-Leu-OH
L-Tyr-L-Ile-L-Leu
L-Tyr-L-Ile-L-Leu zwitterion
More...
  • Miscellaneous

    • Chemical Class:

      A tripeptide composed of L-tyrosine, L-isoleucine, and L-leucine joined in sequence by peptide linkages. ChEBI CHEBI:165121, CHEBI:190707
      A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Ile-Leu. Major microspecies at pH 7.3. ChEBI CHEBI:165121, CHEBI:190707

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 347.3±3.0 cm3

Click to predict properties on the Chemicalize site


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