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SAG

Summary
Name:(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]
Synonyms:SAFINAMIDE
Formula:C17 H17 F N2 O2
Formal charge:0
Formula weight:300.327 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(E)-N~2~-({4-[(3-fluorobenzyl)oxy]phenyl}methylidene)-L-alaninamide
OpenEye OEToolkits1.5.0(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)C
SMILES_CANONICALCACTVS3.341C[C@H](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
SMILESCACTVS3.341C[CH](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F
SMILESOpenEye OEToolkits1.5.0CC(C(=O)N)N=Cc1ccc(cc1)OCc2cccc(c2)F
InChIInChI1.03InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1
InChIKeyInChI1.03RJJDIVMWGWHPFE-QDBSGRMGSA-N

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PDB entries from 2024-07-10

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