panipenem

Home
Ligands
panipenem

GtoPdb Ligand ID: 12184

Synonyms: Carbenin® (panipenem + betamipron) | CS-533 | RS-533

panipenem is an approved drug (Japan)

Compound class: Synthetic organic

Comment: Panipenem is a carbapenem antibacterial compound developed by Daiichi Sankyo [2].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	5
Topological polar surface area	130.23
Molecular weight	339.13
XLogP	0.75
No. Lipinski's rules broken	0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O
Isomeric SMILES	C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]1CCN(C1)C(=N)C)O
InChI	InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1
InChI Key	TYMABNNERDVXID-DLYFRVTGSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)