BioLiP

PDB

BioLiP

PDB CCD ID:

OX6

Number of entries in BioLiP:

Chemical formula:

C11 H19 N3 O3

InChI:

InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1

InChIKey:

PARUDDGQWSBIIO-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)C(c1nnco1)NC(=O)OC(C)(C)C
CACTVS 3.341	CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1
ACDLabs 10.04	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
OpenEye OEToolkits 1.5.0	CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C
CACTVS 3.341	CC(C)[C@@H](NC(=O)OC(C)(C)C)c1ocnn1

Name:

TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE

DrugBank:

DB08336

ZINC:

ZINC000053683093

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).