(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C41H43FN2O6 — CID 11193236

About (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11193236) has the molecular formula C41H43FN2O6 and a molecular weight of 678.80 g/mol. Its IUPAC name is (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

• Compound Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• PubChem CID: 11193236
• Molecular Formula: C41H43FN2O6
• Molecular Weight: 678.80 g/mol
• Exact Mass: 678.31
• IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• SMILES: CC(C)c1c(C(=O)Nc2ccc(COCc3ccccc3)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
• InChI: InChI=1S/C41H43FN2O6/c1-27(2)39-38(41(49)43-33-19-13-29(14-20-33)26-50-25-28-9-5-3-6-10-28)37(30-11-7-4-8-12-30)40(31-15-17-32(42)18-16-31)44(39)22-21-34(45)23-35(46)24-36(47)48/h3-20,27,34-35,45-46H,21-26H2,1-2H3,(H,43,49)(H,47,48)/t34-,35-/m1/s1
• InChIKey: QRHHJVDRPAABOM-VSJLXWSYSA-N
• XLogP: 8.03
• TPSA: 121.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.80
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CID 11193236) is (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

What is the SMILES notation for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The canonical SMILES for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1c(C(=O)Nc2ccc(COCc3ccccc3)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.

What is the InChIKey of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The InChIKey is QRHHJVDRPAABOM-VSJLXWSYSA-N. The full InChI is InChI=1S/C41H43FN2O6/c1-27(2)39-38(41(49)43-33-19-13-29(14-20-33)26-50-25-28-9-5-3-6-10-28)37(30-11-7-4-8-12-30)40(31-15-17-32(42)18-16-31)44(39)22-21-34(45)23-35(46)24-36(47)48/h3-20,27,34-35,45-46H,21-26H2,1-2H3,(H,43,49)(H,47,48)/t34-,35-/m1/s1.

What are the key properties of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 678.80 g/mol, XLogP of 8.03, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-[[4-(phenylmethoxymethyl)phenyl]carbamoyl]-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11193236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).