(2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid

C34H65N7O10 — CID 126620513

About (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid

(2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid (PubChem CID 126620513) has the molecular formula C34H65N7O10 and a molecular weight of 731.93 g/mol. Its IUPAC name is (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
• PubChem CID: 126620513
• Molecular Formula: C34H65N7O10
• Molecular Weight: 731.93 g/mol
• Exact Mass: 731.48
• IUPAC Name: (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
• SMILES: N/N=C(/CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O)NN
• InChI: InChI=1S/C34H65N7O10/c35-40-30(41-36)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-32(44)39-29(34(46)47)16-17-31(43)37-18-21-49-26-27-51-28-33(45)38-19-22-48-24-25-50-23-20-42/h20,29H,1-19,21-28,35-36H2,(H,37,43)(H,38,45)(H,39,44)(H,40,41)(H,46,47)/t29-/m0/s1
• InChIKey: GENJVKQTLOEVSE-LJAQVGFWSA-N
• XLogP: 1.42
• TPSA: 255.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 37
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.93
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The IUPAC name of (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid (CID 126620513) is (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid.

What is the SMILES notation for (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The canonical SMILES for (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid is N/N=C(/CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O)NN.

What is the InChIKey of (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The InChIKey is GENJVKQTLOEVSE-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H65N7O10/c35-40-30(41-36)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-32(44)39-29(34(46)47)16-17-31(43)37-18-21-49-26-27-51-28-33(45)38-19-22-48-24-25-50-23-20-42/h20,29H,1-19,21-28,35-36H2,(H,37,43)(H,38,45)(H,39,44)(H,40,41)(H,46,47)/t29-/m0/s1.

What are the key properties of (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

(2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid has a molecular weight of 731.93 g/mol, XLogP of 1.42, 37 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(17Z)-17-hydrazinyl-17-hydrazinylideneheptadecanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid is sourced from PubChem (CID 126620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).