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A1BS2

Summary
Name:(6S)-4-[(2-methoxyphenyl)acetyl]-4-azaspiro[2.4]heptane-6-carboxamide
Formula:C16 H20 N2 O3
Formal charge:0
Formula weight:288.342 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(6S)-4-[(2-methoxyphenyl)acetyl]-4-azaspiro[2.4]heptane-6-carboxamide
OpenEye OEToolkits3.1.0.0(6~{S})-4-[2-(2-methoxyphenyl)ethanoyl]-4-azaspiro[2.4]heptane-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1OC)N1CC(CC21CC2)C(N)=O
InChIInChI1.06InChI=1S/C16H20N2O3/c1-21-13-5-3-2-4-11(13)8-14(19)18-10-12(15(17)20)9-16(18)6-7-16/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-/m0/s1
InChIKeyInChI1.06APDQHJBCMAYJOC-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CC(=O)N2C[C@H](CC23CC3)C(N)=O
SMILESCACTVS3.385COc1ccccc1CC(=O)N2C[CH](CC23CC3)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2C[C@H](CC23CC3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2CC(CC23CC3)C(=O)N

248636

PDB entries from 2026-02-04

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