BioLiP

PDB

BioLiP

PDB CCD ID:

R0B

Number of entries in BioLiP:

Chemical formula:

C12 H19 N O5 S

InChI:

InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1

InChIKey:

XZQPLQFTHPIJQP-GTNGPMTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC1=C(NC(S1)C(C(C)O)C(=O)O)C(=O)O
CACTVS 3.385	CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O
CACTVS 3.385	CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O

Name:

(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid;
hydrolyzed faropenem (ring-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).