ChemSpider 2D Image | N~2~,N~6~-Bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)lysinamide | C86H147N27O23

N2,N6-Bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)lysinamide

  • Molecular FormulaC86H147N27O23
  • Average mass1927.255 Da
  • Monoisotopic mass1926.116333 Da
  • ChemSpider ID30774274

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

Lysinamide, N2,N6-bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)- [ACD/Index Name]
N2,N6-Bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)lysinamid [German] [ACD/IUPAC Name]
N2,N6-Bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)lysinamide [ACD/IUPAC Name]
N2,N6-Bis(L-lysylglycyl-L-valyl-L-séryl-L-leucyl-L-séryl-L-tyrosyl-L-arginyl)lysinamide [French] [ACD/IUPAC Name]
[1030384-98-5] [RN]
1030384-98-5 [RN]
BN 52021 |
CTCE 9908

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

CCRIS 4693 [DBID]
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5130
      Chemokine CXC Receptors Tocris Bioscience 5130
      Chemokine Receptors Tocris Bioscience 5130
      CXCR4 antagonist; antitumor Tocris Bioscience 5130
      CXCR4 antagonist; induces mitotic catastrophe in ovarian cancer cells. Displays additive cytotoxic effects when given with taxol (Cat. No. 1097). Enhances the efficacy of docetaxel (Cat. No. 4056) in a mouse model. Tocris Bioscience 5130
      CXCR4 antagonist; induces mitotic catastrophe in ovarian cancer cells. Displays additive cytotoxic effects when given with taxol (Cat. No. 1097). Enhances the efficacy of docetaxel (Cat. No. 4056) in a mouse model. Tocris Bioscience 5130

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: 1.645
Molar Refractivity: 484.2±0.5 cm3
#H bond acceptors: 50
#H bond donors: 40
#Freely Rotating Bonds: 69
#Rule of 5 Violations: 3
ACD/LogP: -5.47
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 858 Å2
Polarizability: 191.9±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 1334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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