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A1C2Z

Summary
Name:N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]propanamide
Synonyms:N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]prop-2-enamide bound form
Formula:C26 H31 N3 O5
Formal charge:0
Formula weight:465.541 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]propanamide
OpenEye OEToolkits3.1.0.0~{N}-[4-[3-[[2-oxidanylidene-2-[3-(phenoxymethyl)azetidin-1-yl]ethanoyl]amino]phenyl]oxan-4-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NC1(CCOCC1)c1cccc(NC(=O)C(=O)N2CC(COc3ccccc3)C2)c1)CC
InChIInChI1.06InChI=1S/C26H31N3O5/c1-2-23(30)28-26(11-13-33-14-12-26)20-7-6-8-21(15-20)27-24(31)25(32)29-16-19(17-29)18-34-22-9-4-3-5-10-22/h3-10,15,19H,2,11-14,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyInChI1.06URXROTPXMQQXBT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)NC1(CCOCC1)c2cccc(NC(=O)C(=O)N3CC(COc4ccccc4)C3)c2
SMILESCACTVS3.385CCC(=O)NC1(CCOCC1)c2cccc(NC(=O)C(=O)N3CC(COc4ccccc4)C3)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCC(=O)NC1(CCOCC1)c2cccc(c2)NC(=O)C(=O)N3CC(C3)COc4ccccc4
SMILESOpenEye OEToolkits3.1.0.0CCC(=O)NC1(CCOCC1)c2cccc(c2)NC(=O)C(=O)N3CC(C3)COc4ccccc4

250359

PDB entries from 2026-03-11

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