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BioLiP

PDB CCD ID: OCQ
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O3
InChI: InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1
InChIKey: IZFXLIWWJCODDL-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5C1CNC(=O)C1CC(C(=O)CO)N
CACTVS 3.385N[CH](C[CH]1CCNC1=O)C(=O)CO
ACDLabs 10.04O=C1NCCC1CC(N)C(=O)CO
OpenEye OEToolkits 1.7.5C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N
CACTVS 3.385N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Name:(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE
ZINC: ZINC000064624497
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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