COVPDB

Ligand

Ligand Name: SA2-13
Ligand Type: non-polymer
Ligand ID: COVPDB1298	PubChem: 16049891
Synonym(s): (2s,3r,5r)-2beta-carboxy-3-methyl-3alpha-(4-carboxybutyryloxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane4,4-dioxide
DrugBank: -	ChEMBL: -
Canonical SMILES: C[C@]1(COC(=O)CCCC(O)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Standard InChI: InChI=1S/C13H17NO9S/c1-13(6-23-10(18)4-2-3-9(16)17)11(12(19)20)14-7(15)5-8(14)24(13,21)22/h8,11H,2-6H2,1H3,(H,16,17)(H,19,20)/t8-,11+,13+/m1/s1
Molecular Formula: C13H17NO9S	Mol. Weight: 363.0624	logP: -1.0168
HBD: 2	HBA: 7
#Rotatable Bonds: 7	TPSA: 155.35