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A1CAV

Summary
Name:(3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione
Formula:C19 H21 N3 O4
Formal charge:0
Formula weight:355.388 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione
OpenEye OEToolkits3.1.0.0(3~{S})-3-(6-oxidanylidenespiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1NC(=O)CCC1N1Cc2c3OCC4(CCNCC4)c3ccc2C1=O
InChIInChI1.06InChI=1S/C19H21N3O4/c23-15-4-3-14(17(24)21-15)22-9-12-11(18(22)25)1-2-13-16(12)26-10-19(13)5-7-20-8-6-19/h1-2,14,20H,3-10H2,(H,21,23,24)/t14-/m0/s1
InChIKeyInChI1.06PMZFUWXTXQRRQU-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385O=C1CC[C@H](N2Cc3c4OCC5(CCNCC5)c4ccc3C2=O)C(=O)N1
SMILESCACTVS3.385O=C1CC[CH](N2Cc3c4OCC5(CCNCC5)c4ccc3C2=O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(c3c1C(=O)N(C3)[C@H]4CCC(=O)NC4=O)OCC25CCNCC5
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(c3c1C(=O)N(C3)C4CCC(=O)NC4=O)OCC25CCNCC5

255239

PDB entries from 2026-06-17

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