Found 1 result

Search term: C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(Benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide | C23H29ClN4O4S

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

  • Molecular FormulaC23H29ClN4O4S
  • Average mass493.019 Da
  • Monoisotopic mass492.159790 Da
  • ChemSpider ID28669676

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-[(phenylmethyl)sulfonyl]-D-alanyl-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorbenzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-alanyl-N-[2-(aminométhyl)-5-chlorobenzyl]-L-prolinamide [French] [ACD/IUPAC Name]
M32

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.03
Polar Surface Area: 130 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

Click to predict properties on the Chemicalize site


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