N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide

C22H25N11O12S2 — CID 57133275

About N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide

N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 57133275) has the molecular formula C22H25N11O12S2 and a molecular weight of 699.64 g/mol. Its IUPAC name is N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 57133275
• Molecular Formula: C22H25N11O12S2
• Molecular Weight: 699.64 g/mol
• Exact Mass: 699.11
• IUPAC Name: N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide
• SMILES: CC(C)(ON=C(C(=O)N[C@H]1CN(C(=O)NS(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)NO
• InChI: InChI=1S/C22H25N11O12S2/c1-22(2,18(39)28-42)45-29-14(11-8-46-19(23)26-11)16(37)25-10-7-31(17(10)38)20(40)30-47(43,44)33-4-3-32(21(33)41)27-15(36)9-5-12(34)13(35)6-24-9/h5-6,8,10,35,42H,3-4,7H2,1-2H3,(H2,23,26)(H,24,34)(H,25,37)(H,27,36)(H,28,39)(H,30,40)/t10-/m0/s1
• InChIKey: JNVCTROQQWARDM-JTQLQIEISA-N
• XLogP: -3.51
• TPSA: 328.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	699.64
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide (CID 57133275) is N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide is CC(C)(ON=C(C(=O)N[C@H]1CN(C(=O)NS(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)NO.

What is the InChIKey of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

The InChIKey is JNVCTROQQWARDM-JTQLQIEISA-N. The full InChI is InChI=1S/C22H25N11O12S2/c1-22(2,18(39)28-42)45-29-14(11-8-46-19(23)26-11)16(37)25-10-7-31(17(10)38)20(40)30-47(43,44)33-4-3-32(21(33)41)27-15(36)9-5-12(34)13(35)6-24-9/h5-6,8,10,35,42H,3-4,7H2,1-2H3,(H2,23,26)(H,24,34)(H,25,37)(H,27,36)(H,28,39)(H,30,40)/t10-/m0/s1.

What are the key properties of N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide?

N-[3-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 699.64 g/mol, XLogP of -3.51, 10 rotatable bonds, 8 hydrogen bond donors, and 16 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-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxoimidazolidin-1-yl]-5-hydroxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 57133275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).