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Search term: IYKWLNJKMRZQJG-JFXOEICMSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate | C20H22N5O6S

(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate

  • Molecular FormulaC20H22N5O6S
  • Average mass460.484 Da
  • Monoisotopic mass460.129639 Da
  • ChemSpider ID28532786
  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyan(1H-indol-3-yl)methyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(2R)-1-[(carboxylatométhyl)amino]-3-{[cyano(1H-indol-3-yl)méthyl]sulfanyl}-1-oxo-2-propanyl]amino}-5-oxopentanoate [French] [ACD/IUPAC Name]
Glycine, L-γ-glutamyl-S-(cyano-1H-indol-3-ylmethyl)-L-cysteinyl-, inner salt, ion(1-) [ACD/Index Name]
&γ;GluCys(IAN)Gly
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
2-(glutathion-S-yl)-2-(1H-indol-3-yl)acetonitrile
2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-{[cyano(1H-indol-3-yl)methyl]sulfanyl}ethyl}carbamoyl)butanoic acid
gammaGluCys(IAN)Gly anion
gammaGluCys(IAN)Gly(1-)
More...
  • Miscellaneous
    • Chemical Class:

      A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu. ChEBI CHEBI:64981

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

Density:
Boiling Point: 921.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 511.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability:
Surface Tension:
Molar Volume:

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