ChemSpider 2D Image | Cyclo[D-arginyl-L-tryptophyl-D-lysyl-N-(N-acetylnorleucyl)-L-alpha-aspartyl-D-histidyl-D-phenylalanyl] | C50H68N14O10

Cyclo[D-arginyl-L-tryptophyl-D-lysyl-N-(N-acetylnorleucyl)-L-α-aspartyl-D-histidyl-D-phenylalanyl]

  • Molecular FormulaC50H68N14O10
  • Average mass1025.163 Da
  • Monoisotopic mass1024.524292 Da
  • ChemSpider ID23258671

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Cyclo[D-arginyl-L-tryptophyl-D-lysyl-N-(N-acetylnorleucyl)-L-α-asparagyl-D-histidyl-D-phenylalanyl] [German] [ACD/IUPAC Name]
Cyclo[D-arginyl-L-tryptophyl-D-lysyl-N-(N-acetylnorleucyl)-L-α-aspartyl-D-histidyl-D-phenylalanyl] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[D-arginyl-L-tryptophyl-D-lysyl-N-(N-acétylnorleucyl)-L-α-aspartyl-D-histidyl-D-phénylalanyl] [French] [ACD/IUPAC Name]
Cyclo[N-acetylnorleucyl-L-α-asparagyl-D-histidyl-D-phenylalanyl-N5-(diaminomethylen)-D-ornithyl-L-tryptophyl-D-lysyl] [German] [ACD/IUPAC Name]
cyclo[N-acetylnorleucyl-L-α-aspartyl-D-histidyl-D-phenylalanyl-N5-(diaminomethylene)-D-ornithyl-L-tryptophyl-D-lysyl] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[N-acétylnorleucyl-L-α-aspartyl-D-histidyl-D-phénylalanyl-N5-(diaminométhylène)-D-ornithyl-L-tryptophyl-D-lysyl] [French] [ACD/IUPAC Name]
cyclo[N-acetylnorleucyl-L-α-aspartyl-D-histidyl-D-phenylalanyl-N5-(diaminomethylidene)-D-ornithyl-L-tryptophyl-D-lysyl]
[(2S,5R,8R,11R,14S,17R)-1-(2-Acetylamino-hexanoyl)-17-(4-amino-butyl)-8-benzyl-11-(3-guanidino-propyl)-5-(3H-imidazol-4-ylmethyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl]-acetic acid
CHEMBL408600

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: 1.681
Molar Refractivity: 268.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -5.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 384 Å2
Polarizability: 106.5±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 710.3±7.0 cm3

Click to predict properties on the Chemicalize site


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