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A1BQP

Summary
Name:(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
Formula:C14 H18 N2 O4
Formal charge:0
Formula weight:278.304 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{R})-2-(2-methoxyphenyl)-2-oxidanyl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(CN1CC(CC1=O)C(N)=O)c1ccccc1OC
InChIInChI1.06InChI=1S/C14H18N2O4/c1-20-12-5-3-2-4-10(12)11(17)8-16-7-9(14(15)19)6-13(16)18/h2-5,9,11,17H,6-8H2,1H3,(H2,15,19)/t9-,11-/m0/s1
InChIKeyInChI1.06JFDAVNMAKAEAMC-ONGXEEELSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1[C@@H](O)CN2C[C@H](CC2=O)C(N)=O
SMILESCACTVS3.385COc1ccccc1[CH](O)CN2C[CH](CC2=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1[C@H](CN2C[C@H](CC2=O)C(=O)N)O
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1C(CN2CC(CC2=O)C(=O)N)O

248636

PDB entries from 2026-02-04

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