BioLiP

PDB

BioLiP

PDB CCD ID:

L4O

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CC(C)(C)OC(=O)N1CC2CC1CN2
CACTVS 3.385	CC(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, Lydia 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).