GSH

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Summary

Name:GLUTATHIONE
Formula:C10 H17 N3 O6 S
Formal charge:0
Molecular weight:307.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01L-gamma-glutamyl-L-cysteinylglycine
OpenEye OEToolkits1.7.6(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
InChIInChI1.03InChI=1S/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
InChIKeyInChI1.03RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES_CANONICALCACTVS3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
SMILESCACTVS3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
167518
PDB entries from 2020-08-12