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UG6

Summary
Name:methyl N-acetyl-L-cysteinate
Formula:C6 H11 N O3 S
Formal charge:0
Formula weight:177.221 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl N-acetyl-L-cysteinate
OpenEye OEToolkits2.0.7methyl (2~{R})-2-acetamido-3-sulfanyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COC(=O)C(NC(=O)C)CS
InChIInChI1.06InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyInChI1.06QTKAQJWFVXPIFV-YFKPBYRVSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@H](CS)NC(C)=O
SMILESCACTVS3.385COC(=O)[CH](CS)NC(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N[C@@H](CS)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CC(=O)NC(CS)C(=O)OC

221051

PDB entries from 2024-06-12

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