methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate

C43H44N8O6 — CID 134270236

About methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate

methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 134270236) has the molecular formula C43H44N8O6 and a molecular weight of 768.88 g/mol. Its IUPAC name is methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 134270236
• Molecular Formula: C43H44N8O6
• Molecular Weight: 768.88 g/mol
• Exact Mass: 768.34
• IUPAC Name: methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate
• SMILES: CCCN(Cc1ncc(-c2ccc(-c3ccc4cc(-c5cnc(CN(CC(C)=O)C(=O)CNC=O)[nH]5)ccc4c3)cc2)[nH]1)C(=O)C(NC(=O)OC)c1ccccc1
• InChI: InChI=1S/C43H44N8O6/c1-4-18-50(42(55)41(49-43(56)57-3)31-8-6-5-7-9-31)25-38-45-21-36(47-38)30-12-10-29(11-13-30)32-14-15-34-20-35(17-16-33(34)19-32)37-22-46-39(48-37)26-51(24-28(2)53)40(54)23-44-27-52/h5-17,19-22,27,41H,4,18,23-26H2,1-3H3,(H,44,52)(H,45,47)(H,46,48)(H,49,56)
• InChIKey: RXCCPUSTYQPZCX-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 182.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.88
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate (CID 134270236) is methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate is CCCN(Cc1ncc(-c2ccc(-c3ccc4cc(-c5cnc(CN(CC(C)=O)C(=O)CNC=O)[nH]5)ccc4c3)cc2)[nH]1)C(=O)C(NC(=O)OC)c1ccccc1.

What is the InChIKey of methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is RXCCPUSTYQPZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N8O6/c1-4-18-50(42(55)41(49-43(56)57-3)31-8-6-5-7-9-31)25-38-45-21-36(47-38)30-12-10-29(11-13-30)32-14-15-34-20-35(17-16-33(34)19-32)37-22-46-39(48-37)26-51(24-28(2)53)40(54)23-44-27-52/h5-17,19-22,27,41H,4,18,23-26H2,1-3H3,(H,44,52)(H,45,47)(H,46,48)(H,49,56).

What are the key properties of methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 768.88 g/mol, XLogP of 5.79, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[[5-[4-[6-[2-[[(2-formamidoacetyl)-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 134270236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).