ChemSpider 2D Image | Methyl 4-[1-(N-{[3-(beta-alanylamino)phenyl]sulfonyl}-3-carbamimidoylphenylalanyl)-4-piperidinyl]butanoate | C29H40N6O6S

Methyl 4-[1-(N-{[3-(β-alanylamino)phenyl]sulfonyl}-3-carbamimidoylphenylalanyl)-4-piperidinyl]butanoate

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID24709649

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[1-(N-{[3-(β-Alanylamino)phényl]sulfonyl}-3-carbamimidoylphénylalanyl)-4-pipéridinyl]butanoate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinebutanoic acid, 1-[3-[3-(aminoiminomethyl)phenyl]-2-[[[3-[(3-amino-1-oxopropyl)amino]phenyl]sulfonyl]amino]-1-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl 4-[1-(N-{[3-(β-alanylamino)phenyl]sulfonyl}-3-carbamimidoylphenylalanyl)-4-piperidinyl]butanoate [ACD/IUPAC Name]
Methyl-4-[1-(N-{[3-(β-alanylamino)phenyl]sulfonyl}-3-carbamimidoylphenylalanyl)-4-piperidinyl]butanoat [German] [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: 1.634
Molar Refractivity: 157.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 441.3±7.0 cm3

Click to predict properties on the Chemicalize site


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