(2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid

C32H49IN2O10 — CID 58338993

About (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid

(2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid (PubChem CID 58338993) has the molecular formula C32H49IN2O10 and a molecular weight of 748.65 g/mol. Its IUPAC name is (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid.

Molecular Properties

• Compound Name: (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid
• PubChem CID: 58338993
• Molecular Formula: C32H49IN2O10
• Molecular Weight: 748.65 g/mol
• Exact Mass: 748.24
• IUPAC Name: (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid
• SMILES: CCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCc1ccc(I)cc1)C(=O)O
• InChI: InChI=1S/C32H49IN2O10/c1-2-14-34-31(39)24-45-21-18-42-16-4-7-29(37)23-44-20-19-43-17-15-35-30(38)13-10-26(32(40)41)22-28(36)6-3-5-25-8-11-27(33)12-9-25/h8-9,11-12,26H,2-7,10,13-24H2,1H3,(H,34,39)(H,35,38)(H,40,41)/t26-/m1/s1
• InChIKey: SRPOTXOYZAUOEC-AREMUKBSSA-N
• XLogP: 3.11
• TPSA: 166.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	748.65
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid?

The IUPAC name of (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid (CID 58338993) is (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid.

What is the SMILES notation for (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid?

The canonical SMILES for (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid is CCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCc1ccc(I)cc1)C(=O)O.

What is the InChIKey of (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid?

The InChIKey is SRPOTXOYZAUOEC-AREMUKBSSA-N. The full InChI is InChI=1S/C32H49IN2O10/c1-2-14-34-31(39)24-45-21-18-42-16-4-7-29(37)23-44-20-19-43-17-15-35-30(38)13-10-26(32(40)41)22-28(36)6-3-5-25-8-11-27(33)12-9-25/h8-9,11-12,26H,2-7,10,13-24H2,1H3,(H,34,39)(H,35,38)(H,40,41)/t26-/m1/s1.

What are the key properties of (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid?

(2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid has a molecular weight of 748.65 g/mol, XLogP of 3.11, 29 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid is sourced from PubChem (CID 58338993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).