ChemSpider 2D Image | N-Acetyl-L-cysteinyl-L-alanyl-L-alpha-aspartyl-L-tryptophyl-L-valyl-L-cysteinyl-L-tyrosyl-L-tryptophanamide | C51H63N11O12S2

N-Acetyl-L-cysteinyl-L-alanyl-L-α-aspartyl-L-tryptophyl-L-valyl-L-cysteinyl-L-tyrosyl-L-tryptophanamide

  • Molecular FormulaC51H63N11O12S2
  • Average mass1086.242 Da
  • Monoisotopic mass1085.409912 Da
  • ChemSpider ID129190003

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Tryptophanamide, N-acetyl-L-cysteinyl-L-alanyl-L-α-aspartyl-L-tryptophyl-L-valyl-L-cysteinyl-L-tyrosyl- [ACD/Index Name]
N-Acetyl-L-cysteinyl-L-alanyl-L-α-asparagyl-L-tryptophyl-L-valyl-L-cysteinyl-L-tyrosyl-L-tryptophanamid [German] [ACD/IUPAC Name]
N-Acetyl-L-cysteinyl-L-alanyl-L-α-aspartyl-L-tryptophyl-L-valyl-L-cysteinyl-L-tyrosyl-L-tryptophanamide [ACD/IUPAC Name]
N-Acétyl-L-cystéinyl-L-alanyl-L-α-aspartyl-L-tryptophyl-L-valyl-L-cystéinyl-L-tyrosyl-L-tryptophaneamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516882/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1590.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 260.1±3.0 kJ/mol
Flash Point: 915.9±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 285.8±0.3 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.90
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 443 Å2
Polarizability: 113.3±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 787.0±3.0 cm3

Click to predict properties on the Chemicalize site


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