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A1BOI

Summary
Name:(3S)-1-[(2S)-2-(2-methoxyphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
Formula:C15 H20 N2 O3
Formal charge:0
Formula weight:276.331 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(CN1CC(CC1=O)C(N)=O)c1ccccc1OC
InChIInChI1.06InChI=1S/C15H20N2O3/c1-10(12-5-3-4-6-13(12)20-2)8-17-9-11(15(16)19)7-14(17)18/h3-6,10-11H,7-9H2,1-2H3,(H2,16,19)/t10-,11+/m1/s1
InChIKeyInChI1.06ASBZZTIQOPLUGG-MNOVXSKESA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1[C@H](C)CN2C[C@H](CC2=O)C(N)=O
SMILESCACTVS3.385COc1ccccc1[CH](C)CN2C[CH](CC2=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@H](CN1C[C@H](CC1=O)C(=O)N)c2ccccc2OC
SMILESOpenEye OEToolkits3.1.0.0CC(CN1CC(CC1=O)C(=O)N)c2ccccc2OC

248636

PDB entries from 2026-02-04

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