ChemSpider 2D Image | N-{[(2S)-1-(N-{[(2S)-1-(N-{[(2S)-1-Acetyl-2-piperidinyl]carbonyl}-2-methylalanyl)-2-piperidinyl]carbonyl}-L-isovalyl-2-methylalanyl-L-leucyl-beta-alanylglycyl-2-methylalanyl-2-methylalanyl)-2-piperidi nyl]carbonyl}-2-methylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium-1-yl)-4-methyl-2-pentanyl]-L-isovalinamide | C83H143N18O16

N-{[(2S)-1-(N-{[(2S)-1-(N-{[(2S)-1-Acetyl-2-piperidinyl]carbonyl}-2-methylalanyl)-2-piperidinyl]carbonyl}-L-isovalyl-2-methylalanyl-L-leucyl-β-alanylglycyl-2-methylalanyl-2-methylalanyl)-2-piperidi nyl]carbonyl}-2-methylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium-1-yl)-4-methyl-2-pentanyl]-L-isovalinamide

  • Molecular FormulaC83H143N18O16
  • Average mass1649.134 Da
  • Monoisotopic mass1648.092407 Da
  • ChemSpider ID23106532

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Isovalinamide, N-[[(2S)-1-[(15S,21S)-23-[(2S)-1-[2-[[[(2S)-1-acetyl-2-piperidinyl]carbonyl]amino]-2-methyl-1-oxopropyl]-2-piperidinyl]-21-ethyl-2,2,5,5,18,18,21-heptamethyl-15-(2-methylpropyl)-1,4,7 ,10,14,17,20,23-octaoxo-3,6,9,13,16,19,22-heptaazatricos-1-yl]-2-piperidinyl]carbonyl]-2-methylalanyl-L-alanyl-L-leucyl-N-[(1S)-1-[(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidinium-1-yl)methyl]-3-methy lbutyl]- [ACD/Index Name]
N-{[(2S)-1-(N-{[(2S)-1-(N-{[(2S)-1-Acetyl-2-piperidinyl]carbonyl}-2-methylalanyl)-2-piperidinyl]carbonyl}-L-isovalyl-2-methylalanyl-L-leucyl-β-alanylglycyl-2-methylalanyl-2-methylalanyl)-2-piperidi nyl]carbonyl}-2-methylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium-1-yl)-4-methyl-2-pentanyl]-L-isovalinamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-(N-{[(2S)-1-(N-{[(2S)-1-Acetyl-2-piperidinyl]carbonyl}-2-methylalanyl)-2-piperidinyl]carbonyl}-L-isovalyl-2-methylalanyl-L-leucyl-β-alanylglycyl-2-methylalanyl-2-methylalanyl)-2-piperidi nyl]carbonyl}-2-methylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium-1-yl)-4-methyl-2-pentanyl]-L-isovalinamide [ACD/IUPAC Name]
N-{[(2S)-1-(N-{[(2S)-1-(N-{[(2S)-1-Acétyl-2-pipéridinyl]carbonyl}-2-méthylalanyl)-2-pipéridinyl]carbonyl}-L-isovalyl-2-méthylalanyl-L-leucyl-β-alanylglycyl-2-méthylalanyl-2-méthylalanyl)-2-pipéridi nyl]carbonyl}-2-méthylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium-1-yl)-4-méthyl-2-pentanyl]-L-isovalinamide [French] [ACD/IUPAC Name]
efrapeptin G

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: 34
#H bond donors: 13
#Freely Rotating Bonds: 39
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 445 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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