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Search term: HJCCPKALMCCVEK-SAIUNTKASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(3-Carboxybenzyl)sulfonyl]-5-phenyl-D-norvalyl-3-(carbamimidamidomethyl)-N-(4-carbamimidoylbenzyl)-L-phenylalaninamide | C38H44N8O6S

N-[(3-Carboxybenzyl)sulfonyl]-5-phenyl-D-norvalyl-3-(carbamimidamidomethyl)-N-(4-carbamimidoylbenzyl)-L-phenylalaninamide

  • Molecular FormulaC38H44N8O6S
  • Average mass740.871 Da
  • Monoisotopic mass740.310425 Da
  • ChemSpider ID28525264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[[(3-carboxyphenyl)methyl]sulfonyl]-5-phenyl-D-norvalyl-3-[[(aminoiminomethyl)amino]methyl]-N-[[4-(aminoiminomethyl)phenyl]methyl]- [ACD/Index Name]
N-[(3-Carboxybenzyl)sulfonyl]-5-phenyl-D-norvalyl-3-(carbamimidamidomethyl)-N-(4-carbamimidoylbenzyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(3-Carboxybenzyl)sulfonyl]-5-phenyl-D-norvalyl-3-(carbamimidamidomethyl)-N-(4-carbamimidoylbenzyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-[(3-Carboxybenzyl)sulfonyl]-5-phényl-D-norvalyl-3-(carbamimidamidométhyl)-N-(4-carbamimidoylbenzyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]

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: 1.659
Molar Refractivity: 200.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 543.8±7.0 cm3

Click to predict properties on the Chemicalize site


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