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Search term: AFONNBAHWVWJGI-WSGOIKEKSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-({N-[(Adamantan-1-ylmethoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3R)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid | C25H41N3O8S

(2S)-2-({N-[(Adamantan-1-ylmethoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3R)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid

  • Molecular FormulaC25H41N3O8S
  • Average mass543.673 Da
  • Monoisotopic mass543.261414 Da
  • ChemSpider ID129305546

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(2S)-2-({N-[(Adamantan-1-ylmethoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3R)-2-oxo-3-pyrrolidinyl]-1-propanesulfonic acid [ACD/IUPAC Name]
(2S)-2-({N-[(Adamantan-1-ylmethoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3R)-2-oxo-3-pyrrolidinyl]-1-propansulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinepropanesulfonic acid, α-hydroxy-β-[[(2S)-4-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)carbonyl]amino]pentyl]amino]-2-oxo-, (βS,3R)- [ACD/Index Name]
Acide (2S)-2-({N-[(adamantan-1-ylméthoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3R)-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: 1.564
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

Click to predict properties on the Chemicalize site


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