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BioLiP

PDB CCD ID: NZ7
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N2 O3
InChI: InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1
InChIKey: RZCFMNWZMOAPRJ-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C)(C)C(N2CCOCC21COCC1)=O
CACTVS 3.385CN(C)C(=O)N1CCOC[C]12CCOC2
OpenEye OEToolkits 2.0.6CN(C)C(=O)N1CCOCC12CCOC2
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CN(C)C(=O)N1CCOC[C@]12CCOC2
Name:(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
ZINC: ZINC000195188814
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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