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Search term: YDWMZYBWKLFQKO-RFSHTEQGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S)-5-[(7-Azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoic acid | C24H34N8O6

(3S)-5-[(7-Azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoic acid

  • Molecular FormulaC24H34N8O6
  • Average mass530.577 Da
  • Monoisotopic mass530.260132 Da
  • ChemSpider ID23245273

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3S)-5-[(7-Azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-5-[(7-Azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-5-[(7-azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-4-oxopentanoic acid
Acide (3S)-5-[(7-azabicyclo[2.2.1]hept-7-ylméthyl)amino]-3-({2-[3-{[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(7-azabicyclo[2.2.1]hept-7-ylmethyl)amino]-3-[[2-[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-2-oxo-1(2H)-pyrazinyl]-1-oxobutyl]amino]-4-oxo-, (3S)- [ACD/Index Name]
(S)-5-[(7-Aza-bicyclo[2.2.1]hept-7-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
CHEMBL178674

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 345.3±7.0 cm3

Click to predict properties on the Chemicalize site


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