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BioLiP

PDB CCD ID: K0Y
Number of entries in BioLiP: 6
Chemical formula: C8 H10 N2 O4
InChI: InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
InChIKey: FPAQMEYCJIMDCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)CNC(=O)c1cc(C)on1
OpenEye OEToolkits 2.0.6Cc1cc(no1)C(=O)NCC(=O)OC
ACDLabs 12.01n1c(C(NCC(OC)=O)=O)cc(C)o1
Name:methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
ZINC: ZINC000000128548
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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