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A1APT

Summary
Name:N-({2-[8-(2-methoxyethoxy)naphthalen-2-yl]-1,3-thiazol-4-yl}acetyl)glycine
Synonyms:SJ46418
Formula:C20 H20 N2 O5 S
Formal charge:0
Formula weight:400.448 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-({2-[8-(2-methoxyethoxy)naphthalen-2-yl]-1,3-thiazol-4-yl}acetyl)glycine
OpenEye OEToolkits2.0.72-[2-[2-[8-(2-methoxyethoxy)naphthalen-2-yl]-1,3-thiazol-4-yl]ethanoylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CNC(=O)Cc1csc(n1)c1ccc2cccc(OCCOC)c2c1
InChIInChI1.06InChI=1S/C20H20N2O5S/c1-26-7-8-27-17-4-2-3-13-5-6-14(9-16(13)17)20-22-15(12-28-20)10-18(23)21-11-19(24)25/h2-6,9,12H,7-8,10-11H2,1H3,(H,21,23)(H,24,25)
InChIKeyInChI1.06XOTNABKQGYEPBQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCOc1cccc2ccc(cc12)c3scc(CC(=O)NCC(O)=O)n3
SMILESCACTVS3.385COCCOc1cccc2ccc(cc12)c3scc(CC(=O)NCC(O)=O)n3
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCOc1cccc2c1cc(cc2)c3nc(cs3)CC(=O)NCC(=O)O
SMILESOpenEye OEToolkits2.0.7COCCOc1cccc2c1cc(cc2)c3nc(cs3)CC(=O)NCC(=O)O

250835

PDB entries from 2026-03-18

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