ChemSpider 2D Image | N~2~-[(3S)-4-({(2R)-1-[(4-Carbamimidamidobutyl)amino]-4-methyl-1-oxo-2-pentanyl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide | C26H49N11O6

N2-[(3S)-4-({(2R)-1-[(4-Carbamimidamidobutyl)amino]-4-methyl-1-oxo-2-pentanyl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide

  • Molecular FormulaC26H49N11O6
  • Average mass611.737 Da
  • Monoisotopic mass611.386719 Da
  • ChemSpider ID35035861
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Prolinamide, N2-[(3S)-4-[[(1R)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]-3-hydroxy-1,4-dioxobutyl]-L-arginyl- [ACD/Index Name]
N2-[(3S)-4-({(2R)-1-[(4-Carbamimidamidobutyl)amino]-4-methyl-1-oxo-2-pentanyl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamid [German] [ACD/IUPAC Name]
N2-[(3S)-4-({(2R)-1-[(4-Carbamimidamidobutyl)amino]-4-methyl-1-oxo-2-pentanyl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide [ACD/IUPAC Name]
N2-[(3S)-4-({(2R)-1-[(4-Carbamimidamidobutyl)amino]-4-méthyl-1-oxo-2-pentanyl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide [French] [ACD/IUPAC Name]
N2-[(3s)-4-({(2r)-1-[(4-Carbamimidamidobutyl)amino]-4-Methyl-1-Oxopentan-2-Yl}amino)-3-Hydroxy-4-Oxobutanoyl]-L-Arginyl-L-Prolinamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 14
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -5.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 421.9±7.0 cm3

Click to predict properties on the Chemicalize site






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