BioLiP

PDB

BioLiP

PDB CCD ID:

CJ8

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O4

InChI:

InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1

InChIKey:

GCNAACQQQUCOMO-HTQZYQBOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCNC(=O)C(C(C(=O)NCCC)O)O
OpenEye OEToolkits 2.0.6	CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O
CACTVS 3.385	CCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCC
CACTVS 3.385	CCCNC(=O)[CH](O)[CH](O)C(=O)NCCC

Name:

(2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide

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).