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Search term: GPZLPQNMTKAECU-KWBVRPRRSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-9-(methylsulfanyl)nonanimidoyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate | C20H35N4O7S2

(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-9-(methylsulfanyl)nonanimidoyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate

  • Molecular FormulaC20H35N4O7S2
  • Average mass507.645 Da
  • Monoisotopic mass507.195251 Da
  • ChemSpider ID128920548
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-9-(methylsulfanyl)nonanimidoyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-9-(methylsulfanyl)nonanimidoyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatométhyl)amino]-3-{[(1E)-N-hydroxy-9-(méthylsulfanyl)nonanimidoyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate [French] [ACD/IUPAC Name]
Glycine, L-γ-glutamyl-S-[(1E)-1-(hydroxyimino)-9-(methylthio)nonyl]-L-cysteinyl-, inner salt, ion(1-) [ACD/Index Name]
(E)-9-(methylthio)nonylhydroximoyl-glutathione
-(methylsulfanyl)nonan-1-imine

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: 11
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability:
Surface Tension:
Molar Volume:

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