BioLiP

PDB

BioLiP

PDB CCD ID:

S8D

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O2

InChI:

InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1

InChIKey:

YXUGPUQOOJOCPJ-DTWKUNHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCNC(=O)CN1CC(OCC1C)C
CACTVS 3.385	CCNC(=O)CN1C[CH](C)OC[CH]1C
OpenEye OEToolkits 2.0.6	CCNC(=O)CN1C[C@H](OC[C@@H]1C)C
CACTVS 3.385	CCNC(=O)CN1C[C@@H](C)OC[C@@H]1C

Name:

2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide

ZINC:

ZINC000045838934

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).