sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride

C21H25N6NaO7S — CID 173393379

About sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride

sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride (PubChem CID 173393379) has the molecular formula C21H25N6NaO7S and a molecular weight of 528.52 g/mol. Its IUPAC name is sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride
• PubChem CID: 173393379
• Molecular Formula: C21H25N6NaO7S
• Molecular Weight: 528.52 g/mol
• Exact Mass: 528.14
• IUPAC Name: sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride
• SMILES: CC1(C)S[C@H]2N(C(=O)[C@@]2(NC=O)NC(=O)C(NC(=O)N2CCNC2=O)c2ccccc2)[C@H]1C(=O)O.[H-].[Na+]
• InChI: InChI=1S/C21H24N6O7S.Na.H/c1-20(2)13(15(30)31)27-16(32)21(23-10-28,17(27)35-20)25-14(29)12(11-6-4-3-5-7-11)24-19(34)26-9-8-22-18(26)33;;/h3-7,10,12-13,17H,8-9H2,1-2H3,(H,22,33)(H,23,28)(H,24,34)(H,25,29)(H,30,31);;/q;+1;-1/t12?,13-,17+,21+;;/m0../s1
• InChIKey: HYCBINGZNUPMES-LQJPMWJHSA-N
• XLogP: -3.72
• TPSA: 177.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.52
LogP ≤ 5	-3.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The IUPAC name of sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride (CID 173393379) is sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride.

What is the SMILES notation for sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The canonical SMILES for sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride is CC1(C)S[C@H]2N(C(=O)[C@@]2(NC=O)NC(=O)C(NC(=O)N2CCNC2=O)c2ccccc2)[C@H]1C(=O)O.[H-].[Na+].

What is the InChIKey of sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The InChIKey is HYCBINGZNUPMES-LQJPMWJHSA-N. The full InChI is InChI=1S/C21H24N6O7S.Na.H/c1-20(2)13(15(30)31)27-16(32)21(23-10-28,17(27)35-20)25-14(29)12(11-6-4-3-5-7-11)24-19(34)26-9-8-22-18(26)33;;/h3-7,10,12-13,17H,8-9H2,1-2H3,(H,22,33)(H,23,28)(H,24,34)(H,25,29)(H,30,31);;/q;+1;-1/t12?,13-,17+,21+;;/m0../s1.

What are the key properties of sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride has a molecular weight of 528.52 g/mol, XLogP of -3.72, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride is sourced from PubChem (CID 173393379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).