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A1B53

Summary
Name:(3S)-1-[(1S)-2-(methylamino)-1-(3-methylphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
Formula:C15 H19 N3 O3
Formal charge:0
Formula weight:289.33 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NC)C(c1cccc(C)c1)N1CC(CC1=O)C(N)=O
InChIInChI1.06InChI=1S/C15H19N3O3/c1-9-4-3-5-10(6-9)13(15(21)17-2)18-8-11(14(16)20)7-12(18)19/h3-6,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-,13-/m0/s1
InChIKeyInChI1.06LDFRWHLYLLJBKU-AAEUAGOBSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)[C@H](N1C[C@H](CC1=O)C(N)=O)c2cccc(C)c2
SMILESCACTVS3.385CNC(=O)[CH](N1C[CH](CC1=O)C(N)=O)c2cccc(C)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc(c1)[C@H](C(=O)NC)N2C[C@H](CC2=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(c1)C(C(=O)NC)N2CC(CC2=O)C(=O)N

248942

PDB entries from 2026-02-11

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