ChemSpider 2D Image | Leupeptin | C20H38N6O4

Leupeptin

  • Molecular FormulaC20H38N6O4
  • Average mass426.553 Da
  • Monoisotopic mass426.295441 Da
  • ChemSpider ID24608081
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1Z,2S)-N-[(1Z,2S)-1-{[(2R)-5-Carbamimidamido-1-oxo-2-pentanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-2-[(E)-(1-hydroxyethyliden)amino]-4-methylpentanimidsäure [German] [ACD/IUPAC Name]
(1Z,2S)-N-[(1Z,2S)-1-{[(2R)-5-Carbamimidamido-1-oxo-2-pentanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-2-[(E)-(1-hydroxyethylidene)amino]-4-methylpentanimidic acid [ACD/IUPAC Name]
Acide (1Z,2S)-N-[(1Z,2S)-1-{[(2R)-5-carbamimidamido-1-oxo-2-pentanyl]imino}-1-hydroxy-4-méthyl-2-pentanyl]-2-[(E)-(1-hydroxyéthylidène)amino]-4-méthylpentanimidique [French] [ACD/IUPAC Name]
Leucinamide, N-acetyl-L-leucyl-N-[(1R)-4-[(aminoiminomethyl)amino]-1-formylbutyl]- [ACD/Index Name]
Leupeptin [Wiki]
N-Acetyl-L-leucyl-N-[(2R)-5-carbamimidamido-1-oxo-2-pentanyl]leucinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-leucyl-N-[(2R)-5-carbamimidamido-1-oxo-2-pentanyl]leucinamide [ACD/IUPAC Name]
N-Acétyl-L-leucyl-N-[(2R)-5-carbamimidamido-1-oxo-2-pentanyl]leucinamide [French] [ACD/IUPAC Name]
Pentanimidic acid, N-[(1S)-1-[(Z)-[[(1R)-4-[(aminoiminomethyl)amino]-1-formylbutyl]imino]hydroxymethyl]-3-methylbutyl]-2-[[(1E)-1-hydroxyethylidene]amino]-4-methyl-, (1Z,2S)- [ACD/Index Name]
Acetyl-Leu-Leu-Arg-al
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 600.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.8±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 177 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

Click to predict properties on the Chemicalize site






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