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glutathione ,Tathion,Deltathione,Glutathion,Glutinal,Isethion,Tathione

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摘 要:glutathione ,Tathion,Deltathione,Glutathion,Glutinal,Isethion,Tathione,Glutide,reduced glutathione ,Copren, (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-,yl]amino]-5-oxopentanoic acid,Canonical SMILES: C(CC(=O)NC(CS)C(=O)NCC(
[Synonyms]
glutathione
Tathion
Deltathione
Glutathion
Glutinal
Isethion
Tathione
Glutide
reduced glutathione
Copren

[Structure]
glutathione ,Tathion,Deltathione,Glutathion,Glutinal,Isethion,Tathione

[ Properties Computed from Structure]
Molecular Weight307.32348 [g/mol]
Molecular FormulaC10H17N3O6S
XLogP-6.4
H-Bond Donor5
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count4
Exact Mass307.083806
MonoIsotopic Mass307.083806
Topological Polar Surface Area159
Heavy Atom Count20
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-
yl]amino]-5-oxopentanoic acid
Canonical SMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Isomeric SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI: InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/
h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,
6-/m0/s1/f/h12-13,15,18H

 
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