3GC

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Summary

Name:GAMMA-GLUTAMYLCYSTEINE
Formula:C8 H14 N2 O5 S
Formal charge:0
Molecular weight:250.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04L-gamma-glutamyl-L-cysteine
OpenEye OEToolkits1.5.0(2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
SMILES_CANONICALCACTVS3.341N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
SMILESCACTVS3.341N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N
InChIInChI1.03InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKeyInChI1.03RITKHVBHSGLULN-WHFBIAKZSA-N
171916
PDB entries from 2020-12-02