ChemSpider 2D Image | N~2~-(Benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide | C26H36ClN7O4S

N2-(Benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

  • Molecular FormulaC26H36ClN7O4S
  • Average mass578.127 Da
  • Monoisotopic mass577.223816 Da
  • ChemSpider ID25051955

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s)-N-[[2-(Aminomethyl)-5-Chloro-Phenyl]methyl]-1-[(2r)-5-Carbamimidamido-2-(Phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-Carboxamide
L-Prolinamide, N2-[(phenylmethyl)sulfonyl]-D-arginyl-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]- [ACD/Index Name]
N2-(Benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorbenzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N2-(Benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide [ACD/IUPAC Name]
N2-(Benzylsulfonyl)-D-arginyl-N-[2-(aminométhyl)-5-chlorobenzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2TS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement