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SummaryGeometryRelated PDB entries

ZYJ

Summary
Name:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:C14 H18 N2 O5
Formal charge:0
Formula weight:294.303 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
OpenEye OEToolkits1.7.0(2S,4R)-4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C2NCC(O\N=C\c1ccc(OC)c(OC)c1)C2
SMILES_CANONICALCACTVS3.370COc1ccc(/C=N/O[C@H]2CN[C@@H](C2)C(O)=O)cc1OC
SMILESCACTVS3.370COc1ccc(C=NO[CH]2CN[CH](C2)C(O)=O)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O
SMILESOpenEye OEToolkits1.7.0COc1ccc(cc1OC)C=NOC2CC(NC2)C(=O)O
InChIInChI1.03InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
InChIKeyInChI1.03JZPOVOVBIVKIMT-HJILZNIMSA-N

226262

PDB entries from 2024-10-16

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