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EJA

Summary
Name:S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
Formula:C6 H10 N2 O5 S
Formal charge:0
Formula weight:222.219 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
OpenEye OEToolkits2.0.6(2~{R})-2-azanyl-3-[(~{Z})-~{C}-(2-hydroxy-2-oxoethyl)-~{N}-oxidanyl-carbonimidoyl]sulfanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(CS\C(=N/O)CC(O)=O)C(O)=O
InChIInChI1.03InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1
InChIKeyInChI1.03JQASJBGYGONXEA-TVLFVMPKSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CS\C(CC(O)=O)=N/O)C(O)=O
SMILESCACTVS3.385N[CH](CSC(CC(O)=O)=NO)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O
SMILESOpenEye OEToolkits2.0.6C(C(C(=O)O)N)SC(=NO)CC(=O)O

222415

PDB entries from 2024-07-10

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