methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate

C47H48F2N8O6 — CID 146519386

About methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate

methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 146519386) has the molecular formula C47H48F2N8O6 and a molecular weight of 858.95 g/mol. Its IUPAC name is methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 146519386
• Molecular Formula: C47H48F2N8O6
• Molecular Weight: 858.95 g/mol
• Exact Mass: 858.37
• IUPAC Name: methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate
• SMILES: CCCN(Cc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc(-c5cnc(CN(CCC)C(=O)[C@H](NC(=O)OC)c6ccccc6)[nH]5)cc4)ccc2-3)[nH]1)C(=O)CNC(=O)OC
• InChI: InChI=1S/C47H48F2N8O6/c1-5-20-56(42(58)26-52-45(60)62-3)27-40-51-25-39(54-40)33-17-19-35-34-18-16-32(22-36(34)47(48,49)37(35)23-33)29-12-14-30(15-13-29)38-24-50-41(53-38)28-57(21-6-2)44(59)43(55-46(61)63-4)31-10-8-7-9-11-31/h7-19,22-25,43H,5-6,20-21,26-28H2,1-4H3,(H,50,53)(H,51,54)(H,52,60)(H,55,61)/t43-/m1/s1
• InChIKey: BQHCBHDGEZJOAH-VZUYHUTRSA-N
• XLogP: 8.18
• TPSA: 174.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.95
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate (CID 146519386) is methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate is CCCN(Cc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc(-c5cnc(CN(CCC)C(=O)[C@H](NC(=O)OC)c6ccccc6)[nH]5)cc4)ccc2-3)[nH]1)C(=O)CNC(=O)OC.

What is the InChIKey of methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is BQHCBHDGEZJOAH-VZUYHUTRSA-N. The full InChI is InChI=1S/C47H48F2N8O6/c1-5-20-56(42(58)26-52-45(60)62-3)27-40-51-25-39(54-40)33-17-19-35-34-18-16-32(22-36(34)47(48,49)37(35)23-33)29-12-14-30(15-13-29)38-24-50-41(53-38)28-57(21-6-2)44(59)43(55-46(61)63-4)31-10-8-7-9-11-31/h7-19,22-25,43H,5-6,20-21,26-28H2,1-4H3,(H,50,53)(H,51,54)(H,52,60)(H,55,61)/t43-/m1/s1.

What are the key properties of methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate?

methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 858.95 g/mol, XLogP of 8.18, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(1R)-2-[[5-[4-[9,9-difluoro-7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 146519386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).