ChemSpider 2D Image | (3S)-3-({2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-4-oxopentanoic acid | C21H30N6O6

(3S)-3-({2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-4-oxopentanoic acid

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID23245288

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-({2-[3-{[(4-Methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-5-(2-methyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-({2-[3-{[(4-Methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-5-(2-methyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-3-({2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-4-oxopentanoic acid
Acide (3S)-3-({2-[3-{[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}-5-(2-méthyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[2-[5-(1,1-dimethylethyl)-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)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
CHEMBL178339

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: 1.613
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 340.7±7.0 cm3

Click to predict properties on the Chemicalize site


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