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BioLiP

PDB CCD ID: L4O
Number of entries in BioLiP: 2
Chemical formula: C10 H18 N2 O2
InChI: InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey: UXAWXZDXVOYLII-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(C)(C)OC(=O)N1CC2CC1CN2
CACTVS 3.385CC(C)(C)OC(=O)N1C[CH]2C[CH]1CN2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2
Name:tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
ZINC: ZINC000000403198
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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