N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C35H59N7O12 — CID 170012550

About N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 170012550) has the molecular formula C35H59N7O12 and a molecular weight of 769.89 g/mol. Its IUPAC name is N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• PubChem CID: 170012550
• Molecular Formula: C35H59N7O12
• Molecular Weight: 769.89 g/mol
• Exact Mass: 769.42
• IUPAC Name: N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• SMILES: CN(COCC(C)(C)CC=O)NC(=O)[C@H](CCC(=O)NNCCOCC(C)(C)CC=O)NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C35H59N7O12/c1-34(2,12-17-43)24-53-21-15-37-39-30(47)7-6-27(33(50)40-41(5)26-54-25-35(3,4)13-18-44)38-29(46)11-19-51-22-23-52-20-14-36-28(45)10-16-42-31(48)8-9-32(42)49/h8-9,17-18,27,37H,6-7,10-16,19-26H2,1-5H3,(H,36,45)(H,38,46)(H,39,47)(H,40,50)/t27-/m0/s1
• InChIKey: UOOYJQHYKSQVAA-MHZLTWQESA-N
• XLogP: -1.09
• TPSA: 240.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.89
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The IUPAC name of N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 170012550) is N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

What is the SMILES notation for N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The canonical SMILES for N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CN(COCC(C)(C)CC=O)NC(=O)[C@H](CCC(=O)NNCCOCC(C)(C)CC=O)NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The InChIKey is UOOYJQHYKSQVAA-MHZLTWQESA-N. The full InChI is InChI=1S/C35H59N7O12/c1-34(2,12-17-43)24-53-21-15-37-39-30(47)7-6-27(33(50)40-41(5)26-54-25-35(3,4)13-18-44)38-29(46)11-19-51-22-23-52-20-14-36-28(45)10-16-42-31(48)8-9-32(42)49/h8-9,17-18,27,37H,6-7,10-16,19-26H2,1-5H3,(H,36,45)(H,38,46)(H,39,47)(H,40,50)/t27-/m0/s1.

What are the key properties of N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 769.89 g/mol, XLogP of -1.09, 32 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-[[(2S)-5-[2-[2-(2,2-dimethyl-4-oxobutoxy)ethyl]hydrazinyl]-1-[2-[(2,2-dimethyl-4-oxobutoxy)methyl]-2-methylhydrazinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 170012550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).