BioLiP

PDB

BioLiP

PDB CCD ID:

C8V

Number of entries in BioLiP:

Chemical formula:

C13 H23 N5 O7 S

InChI:

InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1

InChIKey:

KMYLRFCWFBWPGR-MXWKQRLJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCCNC2
OpenEye OEToolkits 2.0.6	C1CC(CNC1)C(=O)NNC(=O)C2CCC(CN2C=O)NOS(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCCNC2
ACDLabs 12.01	O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O
OpenEye OEToolkits 2.0.6	C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O

Name:

(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide;
OPEN FORM - Zidebactam

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).