penicillin G

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Ligands
penicillin G

GtoPdb Ligand ID: 4796

Synonyms: penicillin G sodium | penicillin-G potassium

penicillin G is an approved drug (FDA (1947))

Compound class: Synthetic organic

Comment: Penicillin G (benzylpenicillin) is a narrow spectrum penicillin antibacterial.
Penicillin G is is one of the access group antibacterials on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table under the Summary tab).

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	5
Topological polar surface area	112.01
Molecular weight	334.1
XLogP	1.49
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	O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C
Isomeric SMILES	O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
InChI	InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
InChI Key	JGSARLDLIJGVTE-MBNYWOFBSA-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/)