BioLiP

PDB

BioLiP

PDB CCD ID:

A1IY4

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3 O3

InChI:

InChI=1S/C7H13N3O3/c8-7(12)6-2-1-5(9-13)3-10(6)4-11/h4-6,9,13H,1-3H2,(H2,8,12)/t5-,6+/m1/s1

InChIKey:

YYMMOYFGEZDTRI-RITPCOANSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C[C@H](N(C[C@@H]1NO)C=O)C(=O)N
OpenEye OEToolkits 2.0.7	C1CC(N(CC1NO)C=O)C(=O)N
CACTVS 3.385	NC(=O)[CH]1CC[CH](CN1C=O)NO
CACTVS 3.385	NC(=O)[C@@H]1CC[C@H](CN1C=O)NO

Name:

(2S,5R)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide;
avibactam, reacted 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).