sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

C23H24N3NaO6S2 — CID 173171879

About sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (PubChem CID 173171879) has the molecular formula C23H24N3NaO6S2 and a molecular weight of 525.58 g/mol. Its IUPAC name is sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• PubChem CID: 173171879
• Molecular Formula: C23H24N3NaO6S2
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.10
• IUPAC Name: sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• SMILES: O=C(CSc1ccc(O)cc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(C4CC4)C3=O)CS[C@H]12.[H-].[Na+]
• InChI: InChI=1S/C23H23N3O6S2.Na.H/c27-15-3-5-16(6-4-15)33-11-17(28)24-18-21(30)26-19(23(31)32)13(10-34-22(18)26)9-12-7-8-25(20(12)29)14-1-2-14;;/h3-6,9,14,18,22,27H,1-2,7-8,10-11H2,(H,24,28)(H,31,32);;/q;+1;-1/b12-9+;;/t18-,22-;;/m1../s1
• InChIKey: FKQGEZMBHXDPKH-GBARXQJOSA-N
• XLogP: -1.34
• TPSA: 127.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	-1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The IUPAC name of sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (CID 173171879) is sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride.

What is the SMILES notation for sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The canonical SMILES for sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is O=C(CSc1ccc(O)cc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(C4CC4)C3=O)CS[C@H]12.[H-].[Na+].

What is the InChIKey of sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The InChIKey is FKQGEZMBHXDPKH-GBARXQJOSA-N. The full InChI is InChI=1S/C23H23N3O6S2.Na.H/c27-15-3-5-16(6-4-15)33-11-17(28)24-18-21(30)26-19(23(31)32)13(10-34-22(18)26)9-12-7-8-25(20(12)29)14-1-2-14;;/h3-6,9,14,18,22,27H,1-2,7-8,10-11H2,(H,24,28)(H,31,32);;/q;+1;-1/b12-9+;;/t18-,22-;;/m1../s1.

What are the key properties of sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride has a molecular weight of 525.58 g/mol, XLogP of -1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(6R,7R)-3-[(E)-(1-cyclopropyl-2-oxopyrrolidin-3-ylidene)methyl]-7-[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is sourced from PubChem (CID 173171879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).