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Summary
Name:3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Formula:C11 H14 N2 O4
Formal charge:0
Formula weight:238.24 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(3E)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[(3E)-3-ethylimino-4-hydroxy-6-oxo-1-cyclohexa-1,4-dienyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=C(O)/C(=N/CC)C=C1CC(C(=O)O)N
SMILES_CANONICALCACTVS3.341CCN=C1C=C(C[C@H](N)C(O)=O)C(=O)C=C1O
SMILESCACTVS3.341CCN=C1C=C(C[CH](N)C(O)=O)C(=O)C=C1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0CCN=C1C=C(C(=O)C=C1O)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C11H14N2O4/c1-2-13-8-4-6(3-7(12)11(16)17)9(14)5-10(8)15/h4-5,7,15H,2-3,12H2,1H3,(H,16,17)/b13-8+/t7-/m0/s1
InChIKeyInChI1.03SLIKWDKENRTLAW-AXGKHFFLSA-N

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PDB entries from 2024-08-07

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