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Search term: PDAAZWNVPCMYBL-KQWWLPFYSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-[(N-{[1-(4,4-Difluorocyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid | C28H41F2N3O8S

(2S)-2-[(N-{[1-(4,4-Difluorocyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid

  • Molecular FormulaC28H41F2N3O8S
  • Average mass617.702 Da
  • Monoisotopic mass617.258240 Da
  • ChemSpider ID129239310

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2S)-2-[(N-{[1-(4,4-Difluorcyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-1-propansulfonsäure [German] [ACD/IUPAC Name]
(2S)-2-[(N-{[1-(4,4-Difluorocyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid [ACD/IUPAC Name]
3-Pyrrolidinepropanesulfonic acid, β-[[(2S)-2-[[[1-(4,4-difluorocyclohexyl)-2-phenylethoxy]carbonyl]amino]-4-methyl-1-oxopentyl]amino]-α-hydroxy-2-oxo-, (βS,3S)- [ACD/Index Name]
Acide (2S)-2-[(N-{[1-(4,4-difluorocyclohexyl)-2-phényléthoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-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: 1.567
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 457.8±5.0 cm3

Click to predict properties on the Chemicalize site


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