methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C51H48N8O7 — CID 66621305

About methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 66621305) has the molecular formula C51H48N8O7 and a molecular weight of 884.99 g/mol. Its IUPAC name is methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 66621305
• Molecular Formula: C51H48N8O7
• Molecular Weight: 884.99 g/mol
• Exact Mass: 884.36
• IUPAC Name: methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)COc2c-3ccc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)c5ccccc5)[nH]4)ccc23)[nH]1)c1ccccc1
• InChI: InChI=1S/C51H48N8O7/c1-64-50(62)56-43(30-11-5-3-6-12-30)48(60)58-23-9-15-41(58)46-52-27-39(54-46)33-19-21-37-32(25-33)17-22-38-36-20-18-34(26-35(36)29-66-45(37)38)40-28-53-47(55-40)42-16-10-24-59(42)49(61)44(57-51(63)65-2)31-13-7-4-8-14-31/h3-8,11-14,17-22,25-28,41-44H,9-10,15-16,23-24,29H2,1-2H3,(H,52,54)(H,53,55)(H,56,62)(H,57,63)
• InChIKey: SWTQFSFDYXXCQX-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 183.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.99
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 66621305) is methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)COc2c-3ccc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)c5ccccc5)[nH]4)ccc23)[nH]1)c1ccccc1.

What is the InChIKey of methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is SWTQFSFDYXXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N8O7/c1-64-50(62)56-43(30-11-5-3-6-12-30)48(60)58-23-9-15-41(58)46-52-27-39(54-46)33-19-21-37-32(25-33)17-22-38-36-20-18-34(26-35(36)29-66-45(37)38)40-28-53-47(55-40)42-16-10-24-59(42)49(61)44(57-51(63)65-2)31-13-7-4-8-14-31/h3-8,11-14,17-22,25-28,41-44H,9-10,15-16,23-24,29H2,1-2H3,(H,52,54)(H,53,55)(H,56,62)(H,57,63).

What are the key properties of methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 884.99 g/mol, XLogP of 8.70, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[2-[5-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 66621305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).