BioLiP

PDB

BioLiP

PDB CCD ID:

KQN

Number of entries in BioLiP:

Chemical formula:

C13 H23 N5 O4

InChI:

InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1

InChIKey:

QSZPURBQGQCCCA-HBNTYKKESA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
OpenEye OEToolkits 2.0.7	CC(C(C=O)NC(=O)C(C)NC(=O)CCCCCN=[N+]=[N-])O
CACTVS 3.385	C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CCCCCN=[N+]=[N-])C=O
OpenEye OEToolkits 2.0.7	C[C@H]([C@@H](C=O)NC(=O)[C@H](C)NC(=O)CCCCCN=[N+]=[N-])O

Name:

6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide;
Beta-lactone antibacterial agent (open form)

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).