ChemSpider 2D Image | N-(Benzylsulfonyl)-D-isoleucyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide | C26H36N6O5S

N-(Benzylsulfonyl)-D-isoleucyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide

  • Molecular FormulaC26H36N6O5S
  • Average mass544.666 Da
  • Monoisotopic mass544.246765 Da
  • ChemSpider ID25057995
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-Methyl-2-(Phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
L-Glutamamide, N-[(phenylmethyl)sulfonyl]-D-isoleucyl-N1-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-D-isoleucyl-N1-(4-carbamimidoylbenzyl)-L-glutamamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-isoleucyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-isoleucyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [French] [ACD/IUPAC Name]
PI0

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 408.3±7.0 cm3

Click to predict properties on the Chemicalize site






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