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 antibiotic.
Penicillin G is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019).
2D Structure
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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
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
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InChI standard key Download

Molecular structure representations generated using Open Babel