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BioLiP

PDB CCD ID: GQJ
Number of entries in BioLiP: 6
Chemical formula: C11 H13 N O5
InChI: InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1
InChIKey: GVYWVRYDCMRUCE-SFYZADRCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c2occc2
OpenEye OEToolkits 2.0.6COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O
OpenEye OEToolkits 2.0.6COC(=O)C1CC(CN1C(=O)c2ccco2)O
CACTVS 3.385COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
Name:methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
ZINC: ZINC000001393275
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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