N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide

C22H24N10O11S2 — CID 57086752

About N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide

N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 57086752) has the molecular formula C22H24N10O11S2 and a molecular weight of 668.63 g/mol. Its IUPAC name is N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 57086752
• Molecular Formula: C22H24N10O11S2
• Molecular Weight: 668.63 g/mol
• Exact Mass: 668.11
• IUPAC Name: N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide
• SMILES: CC(C)(C)ON=C(C(=O)N[C@H]1CN(C(=O)NS(=O)(=O)n2cc(O)n(NC(=O)c3cc(=O)c(O)c[nH]3)c2=O)C1=O)c1csc(N)n1
• InChI: InChI=1S/C22H24N10O11S2/c1-22(2,3)43-28-15(11-8-44-19(23)26-11)17(37)25-10-6-30(18(10)38)20(39)29-45(41,42)31-7-14(35)32(21(31)40)27-16(36)9-4-12(33)13(34)5-24-9/h4-5,7-8,10,34-35H,6H2,1-3H3,(H2,23,26)(H,24,33)(H,25,37)(H,27,36)(H,29,39)/t10-/m0/s1
• InChIKey: MJFLVIMLGQXSGC-JTQLQIEISA-N
• XLogP: -2.48
• TPSA: 302.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	668.63
LogP ≤ 5	-2.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

The IUPAC name of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide (CID 57086752) is N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

The canonical SMILES for N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide is CC(C)(C)ON=C(C(=O)N[C@H]1CN(C(=O)NS(=O)(=O)n2cc(O)n(NC(=O)c3cc(=O)c(O)c[nH]3)c2=O)C1=O)c1csc(N)n1.

What is the InChIKey of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

The InChIKey is MJFLVIMLGQXSGC-JTQLQIEISA-N. The full InChI is InChI=1S/C22H24N10O11S2/c1-22(2,3)43-28-15(11-8-44-19(23)26-11)17(37)25-10-6-30(18(10)38)20(39)29-45(41,42)31-7-14(35)32(21(31)40)27-16(36)9-4-12(33)13(34)5-24-9/h4-5,7-8,10,34-35H,6H2,1-3H3,(H2,23,26)(H,24,33)(H,25,37)(H,27,36)(H,29,39)/t10-/m0/s1.

What are the key properties of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 668.63 g/mol, XLogP of -2.48, 8 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-5-hydroxy-2-oxoimidazol-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 57086752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).