sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

C24H24N5NaO5S2 — CID 173172261

About sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (PubChem CID 173172261) has the molecular formula C24H24N5NaO5S2 and a molecular weight of 549.61 g/mol. Its IUPAC name is sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• PubChem CID: 173172261
• Molecular Formula: C24H24N5NaO5S2
• Molecular Weight: 549.61 g/mol
• Exact Mass: 549.11
• IUPAC Name: sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• SMILES: O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(=C3CCNC3=O)C3CC3)CS[C@H]12.[H-].[Na+]
• InChI: InChI=1S/C24H23N5O5S2.Na.H/c30-16(10-36-24-26-14-3-1-2-4-15(14)27-24)28-18-21(32)29-19(23(33)34)13(9-35-22(18)29)17(11-5-6-11)12-7-8-25-20(12)31;;/h1-4,11,18,22H,5-10H2,(H,25,31)(H,26,27)(H,28,30)(H,33,34);;/q;+1;-1/t18-,22-;;/m1../s1
• InChIKey: RDITZHDGTBOHAU-VMJMSTHCSA-N
• XLogP: -1.26
• TPSA: 144.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.61
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	4
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)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The IUPAC name of sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (CID 173172261) is sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-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)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The canonical SMILES for sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(=C3CCNC3=O)C3CC3)CS[C@H]12.[H-].[Na+].

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

The InChIKey is RDITZHDGTBOHAU-VMJMSTHCSA-N. The full InChI is InChI=1S/C24H23N5O5S2.Na.H/c30-16(10-36-24-26-14-3-1-2-4-15(14)27-24)28-18-21(32)29-19(23(33)34)13(9-35-22(18)29)17(11-5-6-11)12-7-8-25-20(12)31;;/h1-4,11,18,22H,5-10H2,(H,25,31)(H,26,27)(H,28,30)(H,33,34);;/q;+1;-1/t18-,22-;;/m1../s1.

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

sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride has a molecular weight of 549.61 g/mol, XLogP of -1.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(6R,7R)-7-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[cyclopropyl-(2-oxopyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is sourced from PubChem (CID 173172261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).