ChemSpider 2D Image | N-[(Carboxymethyl)sulfonyl]-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide | C26H31N7O7S

N-[(Carboxymethyl)sulfonyl]-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide

  • Molecular FormulaC26H31N7O7S
  • Average mass585.632 Da
  • Monoisotopic mass585.200562 Da
  • ChemSpider ID25059235
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
L-Glutamamide, N-[(carboxymethyl)sulfonyl]-D-tryptophyl-N1-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]- [ACD/Index Name]
N-[(Carboxymethyl)sulfonyl]-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamid [German] [ACD/IUPAC Name]
N-[(Carboxymethyl)sulfonyl]-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [ACD/IUPAC Name]
N-[(Carboxyméthyl)sulfonyl]-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [French] [ACD/IUPAC Name]
567

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: 1.697
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

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