methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

C42H48N8O8 — CID 123515323

About methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 123515323) has the molecular formula C42H48N8O8 and a molecular weight of 792.89 g/mol. Its IUPAC name is methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
• PubChem CID: 123515323
• Molecular Formula: C42H48N8O8
• Molecular Weight: 792.89 g/mol
• Exact Mass: 792.36
• IUPAC Name: methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
• SMILES: COC(=O)NC(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6COCCN6C(=O)C(NC(=O)OC)C(C)OC)[nH]5)ccc4c3)cc2)[nH]1
• InChI: InChI=1S/C42H48N8O8/c1-24(45-41(53)56-4)39(51)49-16-6-7-34(49)37-43-21-32(46-37)27-10-8-26(9-11-27)28-12-13-30-20-31(15-14-29(30)19-28)33-22-44-38(47-33)35-23-58-18-17-50(35)40(52)36(25(2)55-3)48-42(54)57-5/h8-15,19-22,24-25,34-36H,6-7,16-18,23H2,1-5H3,(H,43,46)(H,44,47)(H,45,53)(H,48,54)
• InChIKey: FLBIEJQUWGJJBU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 193.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.89
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate (CID 123515323) is methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6COCCN6C(=O)C(NC(=O)OC)C(C)OC)[nH]5)ccc4c3)cc2)[nH]1.

What is the InChIKey of methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?

The InChIKey is FLBIEJQUWGJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N8O8/c1-24(45-41(53)56-4)39(51)49-16-6-7-34(49)37-43-21-32(46-37)27-10-8-26(9-11-27)28-12-13-30-20-31(15-14-29(30)19-28)33-22-44-38(47-33)35-23-58-18-17-50(35)40(52)36(25(2)55-3)48-42(54)57-5/h8-15,19-22,24-25,34-36H,6-7,16-18,23H2,1-5H3,(H,43,46)(H,44,47)(H,45,53)(H,48,54).

What are the key properties of methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?

methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 792.89 g/mol, XLogP of 5.35, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-[4-[6-[2-[4-[3-methoxy-2-(methoxycarbonylamino)butanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123515323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).