ChemSpider 2D Image | MFCD04974180 | C43H64N6O9

MFCD04974180

  • Molecular FormulaC43H64N6O9
  • Average mass809.003 Da
  • Monoisotopic mass808.473450 Da
  • ChemSpider ID23315719

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(Z-Leu-Leu-NHCH2)2CO
(Z-LL)2 ketone
[(4S,7S,15S,18S)-7,15-Diisobutyl-2,20-diméthyl-5,8,11,14,17-pentaoxo-6,9,13,16-tétraazahénicosane-4,18-diyl]biscarbamate de dibenzyle [French] [ACD/IUPAC Name]
1,3-di-(N-carboxybenzoyl-L-leucyl-L-leucyl)amino acetone
2,2'-(2-Oxo-1,3-propanediyl)bis[N-[(phenylmethoxy)carbonyl]-L-leucyl-L-leucinamide
313664-40-3 [RN]
benzyl [(5S,8S,16S,19S)-21-methyl-5,8,16-tris(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1-phenyl-2-oxa-4,7,10,14,17-pentaazadocosan-19-yl]carbamate (non-preferred name)
Dibenzyl [(4S,7S,15S,18S)-7,15-diisobutyl-2,20-dimethyl-5,8,11,14,17-pentaoxo-6,9,13,16-tetraazahenicosane-4,18-diyl]biscarbamate [ACD/IUPAC Name]
Dibenzyl-[(4S,7S,15S,18S)-7,15-diisobutyl-2,20-dimethyl-5,8,11,14,17-pentaoxo-6,9,13,16-tetraazahenicosan-4,18-diyl]biscarbamat [German] [ACD/IUPAC Name]
MFCD04974180
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 5630
      Other Proteases Tocris Bioscience 5630
      Proteases Tocris Bioscience 5630
      Putative inhibitor of signal peptide peptidase Tocris Bioscience 5630
      Putative inhibitor of signal peptide peptidase; inhibits p-Prl signal peptide processing (IC50 = 50 nM). Exhibits no effect on signal peptidases or proteasome activity. Reduces HSV-1 replication in vi tro and in vivo. Tocris Bioscience 5630
      Putative inhibitor of signal peptide peptidase; inhibits p-Prl signal peptide processing (IC50 = 50 nM). Exhibits no effect on signal peptidases or proteasome activity. Reduces HSV-1 replication in vitro and in vivo. Tocris Bioscience 5630

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1022.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.7±3.0 kJ/mol
Flash Point: 572.3±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 219.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2489.73
ACD/KOC (pH 5.5): 9381.73
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2489.28
ACD/KOC (pH 7.4): 9380.04
Polar Surface Area: 210 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 710.1±3.0 cm3

Click to predict properties on the Chemicalize site


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