(6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

C43H70N8O12 — CID 155097072

About (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

(6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide (PubChem CID 155097072) has the molecular formula C43H70N8O12 and a molecular weight of 891.08 g/mol. Its IUPAC name is (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide.

Molecular Properties

• Compound Name: (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
• PubChem CID: 155097072
• Molecular Formula: C43H70N8O12
• Molecular Weight: 891.08 g/mol
• Exact Mass: 890.51
• IUPAC Name: (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
• SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCOCCOCCOCCNCCCOCCOCCOCCNC(=O)c2ccc(NN)nc2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO
• InChI: InChI=1S/C43H70N8O12/c1-32(2)29-37-36(42(54)51-56)5-3-17-63-35-9-6-33(7-10-35)30-38(49-41(37)53)43(55)47-15-20-60-24-28-62-26-22-58-18-13-45-12-4-16-57-21-25-61-27-23-59-19-14-46-40(52)34-8-11-39(50-44)48-31-34/h6-11,31-32,36-38,45,56H,3-5,12-30,44H2,1-2H3,(H,46,52)(H,47,55)(H,48,50)(H,49,53)(H,51,54)/t36-,37+,38-/m0/s1
• InChIKey: JEEDKPXMVZDTHK-VYSOZWTASA-N
• XLogP: 0.98
• TPSA: 264.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	891.08
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?

The IUPAC name of (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide (CID 155097072) is (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide.

What is the SMILES notation for (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?

The canonical SMILES for (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCOCCOCCOCCNCCCOCCOCCOCCNC(=O)c2ccc(NN)nc2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO.

What is the InChIKey of (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?

The InChIKey is JEEDKPXMVZDTHK-VYSOZWTASA-N. The full InChI is InChI=1S/C43H70N8O12/c1-32(2)29-37-36(42(54)51-56)5-3-17-63-35-9-6-33(7-10-35)30-38(49-41(37)53)43(55)47-15-20-60-24-28-62-26-22-58-18-13-45-12-4-16-57-21-25-61-27-23-59-19-14-46-40(52)34-8-11-39(50-44)48-31-34/h6-11,31-32,36-38,45,56H,3-5,12-30,44H2,1-2H3,(H,46,52)(H,47,55)(H,48,50)(H,49,53)(H,51,54)/t36-,37+,38-/m0/s1.

What are the key properties of (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide?

(6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide has a molecular weight of 891.08 g/mol, XLogP of 0.98, 31 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7R,10S)-10-N-[2-[2-[2-[2-[3-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide is sourced from PubChem (CID 155097072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).