Sulopenem etzadroxil

C₁₉H₂₇NO₇S₃ — CID 23642298

About Sulopenem etzadroxil

Sulopenem etzadroxil (PubChem CID 23642298) has the molecular formula C₁₉H₂₇NO₇S₃ and a molecular weight of 477.63 g/mol. Its IUPAC name is 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: Sulopenem etzadroxil
• PubChem CID: 23642298
• Molecular Formula: C₁₉H₂₇NO₇S₃
• Molecular Weight: 477.63 g/mol
• Exact Mass: 477.09
• IUPAC Name: 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• SMILES: CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S@@](=O)C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12
• InChI: InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1
• InChIKey: NBPVNGWRLGHULH-CSOWVJSESA-N
• XLogP: 1.80
• TPSA: 110.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.63
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sulopenem etzadroxil?

The IUPAC name of Sulopenem etzadroxil (CID 23642298) is 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

What is the SMILES notation for Sulopenem etzadroxil?

The canonical SMILES for Sulopenem etzadroxil is CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S@@](=O)C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12.

What is the InChIKey of Sulopenem etzadroxil?

The InChIKey is NBPVNGWRLGHULH-CSOWVJSESA-N. The full InChI is InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1.

What are the key properties of Sulopenem etzadroxil?

Sulopenem etzadroxil has a molecular weight of 477.63 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Sulopenem etzadroxil is sourced from PubChem (CID 23642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23642298 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5838 — approved-drug record (CC BY-SA 4.0)

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