(17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide

C40H77N9O9S — CID 134334127

About (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide

(17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide (PubChem CID 134334127) has the molecular formula C40H77N9O9S and a molecular weight of 860.18 g/mol. Its IUPAC name is (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide.

Molecular Properties

• Compound Name: (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide
• PubChem CID: 134334127
• Molecular Formula: C40H77N9O9S
• Molecular Weight: 860.18 g/mol
• Exact Mass: 859.56
• IUPAC Name: (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide
• SMILES: CC(=O)COCCOCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCS(=O)NC(=O)CCCCCCCCCCCCCCC/C(=N/N)NN
• InChI: InChI=1S/C40H77N9O9S/c1-34(50)33-58-31-30-57-29-28-46-38(53)23-17-26-44-36(51)21-15-25-43-37(52)22-16-27-45-39(54)24-18-32-59(56)49-40(55)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-35(47-41)48-42/h2-33,41-42H2,1H3,(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,48)(H,49,55)
• InChIKey: ROWVHOMETJWYRW-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 274.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 41
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.18
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide?

The IUPAC name of (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide (CID 134334127) is (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide.

What is the SMILES notation for (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide?

The canonical SMILES for (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide is CC(=O)COCCOCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCS(=O)NC(=O)CCCCCCCCCCCCCCC/C(=N/N)NN.

What is the InChIKey of (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide?

The InChIKey is ROWVHOMETJWYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H77N9O9S/c1-34(50)33-58-31-30-57-29-28-46-38(53)23-17-26-44-36(51)21-15-25-43-37(52)22-16-27-45-39(54)24-18-32-59(56)49-40(55)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-35(47-41)48-42/h2-33,41-42H2,1H3,(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,48)(H,49,55).

What are the key properties of (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide?

(17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide has a molecular weight of 860.18 g/mol, XLogP of 2.56, 41 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (17Z)-17-hydrazinyl-17-hydrazinylidene-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]butyl]sulfinylheptadecanamide is sourced from PubChem (CID 134334127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).