ChemSpider 2D Image | Benzyl L-arginyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-L-alaninate | C44H66N12O12

Benzyl L-arginyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-L-alaninate

  • Molecular FormulaC44H66N12O12
  • Average mass955.068 Da
  • Monoisotopic mass954.492310 Da
  • ChemSpider ID23241935

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Benzyl L-arginyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-L-alaninate [ACD/IUPAC Name]
benzyl N5-(diaminomethylidene)-L-ornithyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-L-alaninate
Benzyl-L-arginyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, L-arginyl-L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalanyl-, phenylmethyl ester [ACD/Index Name]
L-Arginyl-L-alanyl-L-thréonyl-L-séryl-L-asparaginyl-L-valyl-L-phénylalanyl-L-alaninate de benzyle [French] [ACD/IUPAC Name]
Arg-Ala-Thr-Ser-AsnVal-Phe-Ala-O-Benzyl
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL430258/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 242.2±0.5 cm3
#H bond acceptors: 24
#H bond donors: 17
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 404 Å2
Polarizability: 96.0±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 677.7±7.0 cm3

Click to predict properties on the Chemicalize site


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