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28T

Summary
Name:1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline
Formula:C13 H20 N2 O4
Formal charge:0
Formula weight:268.309 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline
OpenEye OEToolkits1.7.6(2S)-1-[4-oxidanylidene-4-[(2S)-pyrrolidin-2-yl]butanoyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2
InChIInChI1.03InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1
InChIKeyInChI1.03FCVBOVVXXBUFFZ-UWVGGRQHSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@@H]2CCCN2
SMILESCACTVS3.385OC(=O)[CH]1CCCN1C(=O)CCC(=O)[CH]2CCCN2
SMILES_CANONICALOpenEye OEToolkits1.7.6C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O
SMILESOpenEye OEToolkits1.7.6C1CC(NC1)C(=O)CCC(=O)N2CCCC2C(=O)O

221371

PDB entries from 2024-06-19

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