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Search term: VCQYBHSDNWQLAS-ZXLNZJBRSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-[(N-{[(trans-4-propylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-propanesulfonic acid | C23H41N3O8S

(2S)-1-Hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-[(N-{[(trans-4-propylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-propanesulfonic acid

  • Molecular FormulaC23H41N3O8S
  • Average mass519.652 Da
  • Monoisotopic mass519.261414 Da
  • ChemSpider ID129241156

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-1-Hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-[(N-{[(trans-4-propylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-propanesulfonic acid [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-[(N-{[(trans-4-propylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-propansulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinepropanesulfonic acid, α-hydroxy-β-[[(2S)-4-methyl-1-oxo-2-[[[(trans-4-propylcyclohexyl)oxy]carbonyl]amino]pentyl]amino]-2-oxo-, (βS,3S)- [ACD/Index Name]
Acide (2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-[(N-{[(trans-4-propylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-propanesulfonique [French] [ACD/IUPAC Name]

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: 1.550
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

Click to predict properties on the Chemicalize site


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