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BioLiP

PDB CCD ID: A1BF7
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N2 O3
InChI: InChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1
InChIKey: VINVRWFILPAKSR-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COCC(=O)N1CCCC(C1)C(=O)N
CACTVS 3.385COCC(=O)N1CCC[CH](C1)C(N)=O
CACTVS 3.385COCC(=O)N1CCC[C@@H](C1)C(N)=O
ACDLabs 14.52O=C(COC)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0COCC(=O)N1CCC[C@@H](C1)C(=O)N
Name:(3S)-1-(methoxyacetyl)piperidine-3-carboxamide
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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