ChemSpider 2D Image | 5-[(3-Carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide | C34H39N7O8S

5-[(3-Carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide

  • Molecular FormulaC34H39N7O8S
  • Average mass705.781 Da
  • Monoisotopic mass705.258057 Da
  • ChemSpider ID8231120
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-[[3-[(2r)-3-[[(2s)-5-Amino-1-[(4-Carbamimidoylphenyl)methylamino]-1,5-Dioxo-Pentan-2-Yl]amino]-2-(Ethylsulfonylamino)-3-Oxo-Propyl]-1h-Indol-5-Yl]oxymethyl]benzoic Acid
5-[(3-Carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamid [German] [ACD/IUPAC Name]
5-[(3-Carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [ACD/IUPAC Name]
5-[(3-Carboxybenzyl)oxy]-N-(éthylsulfonyl)-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [French] [ACD/IUPAC Name]
L-Glutamamide, 5-[(3-carboxyphenyl)methoxy]-N-(ethylsulfonyl)-D-tryptophyl-N1-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]- [ACD/Index Name]

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

359 [DBID]

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: 1.674
Molar Refractivity: 182.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 485.8±7.0 cm3

Click to predict properties on the Chemicalize site






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