BioLiP

PDB

BioLiP

PDB CCD ID:

N7G

Number of entries in BioLiP:

Chemical formula:

C15 H30 N2 O4

InChI:

InChI=1S/C15H30N2O4/c1-15(2,3)13(19)14(20)17-10-8-12(18)16-9-6-5-7-11-21-4/h13,19H,5-11H2,1-4H3,(H,16,18)(H,17,20)/t13-/m0/s1

InChIKey:

NABPYAZEODOCAF-ZDUSSCGKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
OpenEye OEToolkits 2.0.6	CC(C)(C)C(C(=O)NCCC(=O)NCCCCCOC)O
OpenEye OEToolkits 2.0.6	CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O
ACDLabs 12.01	CC(C)(C)C(O)C(NCCC(NCCCCCOC)=O)=O
CACTVS 3.385	COCCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C

Name:

(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide

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).