Found 1 result

Search term: C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(Benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | C23H29N5O4S

N-(Benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

  • Molecular FormulaC23H29N5O4S
  • Average mass471.573 Da
  • Monoisotopic mass471.194031 Da
  • ChemSpider ID28661673

  • 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-[[4-(aminoiminomethyl)phenyl]methyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
S29

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: 1.652
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.47
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): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 344.7±7.0 cm3

Click to predict properties on the Chemicalize site


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