ChemSpider 2D Image | 2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}-N-{(2S)-1-[(3R)-1-carbamimidoyl-3-piperidinyl]-3-hydroxy-2-propanyl}acetamide | C23H36N6O5S

2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}-N-{(2S)-1-[(3R)-1-carbamimidoyl-3-piperidinyl]-3-hydroxy-2-propanyl}acetamide

  • Molecular FormulaC23H36N6O5S
  • Average mass508.634 Da
  • Monoisotopic mass508.246796 Da
  • ChemSpider ID392428

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Piperidineacetamide, N-[(1S)-2-[(3R)-1-[(E)-aminoiminomethyl]-3-piperidinyl]-1-(hydroxymethyl)ethyl]-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)- [ACD/Index Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}-N-{(2S)-1-[(3R)-1-carbamimidoyl-3-piperidinyl]-3-hydroxy-2-propanyl}acetamid [German] [ACD/IUPAC Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}-N-{(2S)-1-[(3R)-1-carbamimidoyl-3-piperidinyl]-3-hydroxy-2-propanyl}acetamide [ACD/IUPAC Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-pipéridinyl}-N-{(2S)-1-[(3R)-1-carbamimidoyl-3-pipéridinyl]-3-hydroxy-2-propanyl}acétamide [French] [ACD/IUPAC Name]
0IV
2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
PMS-RON-GLY-3GA

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: 1.663
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 353.6±7.0 cm3

Click to predict properties on the Chemicalize site


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