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SummaryGeometryRelated PDB entries

MFC

Summary
Name:5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE
Formula:C15 H16 F N3 O5
Formal charge:0
Formula weight:337.303 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits1.5.02-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(3-fluoro-4-hydroxy-phenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1c(O)ccc(c1)\C=C2/N=C(N(C2=O)CC(=O)O)C(N)C(O)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(O)c(F)c2)C(=O)N1CC(O)=O
SMILESCACTVS3.341C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C(C1=NC(=Cc2ccc(c(c2)F)O)C(=O)N1CC(=O)O)N)O
InChIInChI1.03InChI=1S/C15H16FN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
InChIKeyInChI1.03QLZXNQSTTQYOCH-QHUHAOFSSA-N

225946

PDB entries from 2024-10-09

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