Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1L7O

Summary
Name:3-[1-[[(2~{S})-4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]piperidin-4-yl]phenol
Formula:C24 H32 N2 O2
Formal charge:0
Formula weight:380.523 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[1-[[(2~{S})-4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]piperidin-4-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H32N2O2/c27-23-9-4-8-22(16-23)21-10-13-25(14-11-21)18-24-19-26(12-5-15-28-24)17-20-6-2-1-3-7-20/h1-4,6-9,16,21,24,27H,5,10-15,17-19H2/t24-/m0/s1
InChIKeyInChI1.06UQIBNGMNYAIMIZ-DEOSSOPVSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)C2CCN(CC2)C[C@H]3CN(CCCO3)Cc4ccccc4
SMILESCACTVS3.385Oc1cccc(c1)C2CCN(CC2)C[CH]3CN(CCCO3)Cc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCCO[C@H](C2)CN3CCC(CC3)c4cccc(c4)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCCOC(C2)CN3CCC(CC3)c4cccc(c4)O

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon