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ScientificNameLabel
Gamma-L-Glutamyl-S-methyl-L-cysteine
PHCD compound ID : 5029
Chemical Names :
Gamma-L-Glutamyl-S-methyl-L-cysteine
Molecular Formula : C9H15N2O5S1
Molecular Weight : 263.070168
More Details :
Names & Synonyms: (2S)-2-azaniumyl-5-[[(1R)-1-carboxylato-2-methylsulfanyl-ethyl]amino]-5-oxo-pentanoate , (2S)-2-ammonio-5-[[(1R)-1-carboxylato-2-(methylthio)ethyl]amino]-5-oxopentanoate , (2S)-2-azaniumyl-5-[[(1R)-1-carboxylato-2-methylsulfanylethyl]amino]-5-oxopentanoate , (2S)-2-azaniumyl-5-[[(1R)-1-carboxylato-2-methylsulfanylethyl]amino]-5-oxopentanoate , (2S)-2-azaniumyl-5-[[(2R)-3-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate , (2S)-2-ammonio-5-[[(1R)-1-carboxylato-2-(methylthio)ethyl]amino]-5-keto-valerate
Smiles: [O-]C(=O)[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])CSC
InChi : InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1/t5-,6-/m0/s1
InChi Key : InChIKey=UPCDLBPYWXOCOK-WDSKDSINSA-M
PubChem ID : 91820011
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 5.631030
Hydrogen bond donor count : 2 Electric dipole moment : 7.546
XLogP : -1.3 VDW volume : 239.446393
Molecular weight : 263.070168 HOMO-LUMO gap : 8.733000
Herb list :
Refrences & Litretures:
  
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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