ChemSpider 2D Image | (3S)-5-[Hexyl(methyl)amino]-3-({(2S)-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-oxopentanoate | C28H44N7O6

(3S)-5-[Hexyl(methyl)amino]-3-({(2S)-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-oxopentanoate

  • Molecular FormulaC28H44N7O6
  • Average mass574.693 Da
  • Monoisotopic mass574.335876 Da
  • ChemSpider ID4451241

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-5-[Hexyl(methyl)amino]-3-({(2S)-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-oxopentanoat [German] [ACD/IUPAC Name]
(3S)-5-[Hexyl(methyl)amino]-3-({(2S)-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-oxopentanoate [ACD/IUPAC Name]
(3S)-5-[Hexyl(méthyl)amino]-3-({(2S)-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-oxopentanoate [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[(2S)-2-[5-(1,1-dimethylethyl)-3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-2-oxo-1(2H)-pyrazinyl]-1-oxobutyl]amino]-5-(hexylmethylamino)-4-oxo-, ion(1-), (3S)- [ACD/Index Name]
3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
PZN

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 173 Å2
Polarizability:
Surface Tension:
Molar Volume:

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