Molecular structure from independently sourced SMILES

Simvastatin 2D structure

Role
Drug
Mechanism class
Statin / HMG-CoA
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
Structure checked
2026-10-08
Molecular formula
C25H38O5
Structure source
PubChem
PubChem CID
54454
InChI Key
RYMZZMVNJRMUDD-HGQWONQESA-N

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

Tags

statinLDL-Clactone prodrug

Related compounds

External IDs · BioMoa

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

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