(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid

C26H47N3O11 — CID 162244742

About (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid

(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid (PubChem CID 162244742) has the molecular formula C26H47N3O11 and a molecular weight of 577.67 g/mol. Its IUPAC name is (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid
• PubChem CID: 162244742
• Molecular Formula: C26H47N3O11
• Molecular Weight: 577.67 g/mol
• Exact Mass: 577.32
• IUPAC Name: (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid
• SMILES: CC[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](N)C(=O)O)C(=O)O
• InChI: InChI=1S/C26H47N3O11/c1-2-20(25(33)34)8-9-23(31)29-11-13-38-15-16-39-18-21(30)6-5-12-37-14-17-40-19-24(32)28-10-4-3-7-22(27)26(35)36/h20,22H,2-19,27H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,35,36)/t20-,22-/m0/s1
• InChIKey: PFSDYFHCHNSSQG-UNMCSNQZSA-N
• XLogP: 0.11
• TPSA: 212.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.67
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid?

The IUPAC name of (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid (CID 162244742) is (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid is CC[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](N)C(=O)O)C(=O)O.

What is the InChIKey of (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid?

The InChIKey is PFSDYFHCHNSSQG-UNMCSNQZSA-N. The full InChI is InChI=1S/C26H47N3O11/c1-2-20(25(33)34)8-9-23(31)29-11-13-38-15-16-39-18-21(30)6-5-12-37-14-17-40-19-24(32)28-10-4-3-7-22(27)26(35)36/h20,22H,2-19,27H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,35,36)/t20-,22-/m0/s1.

What are the key properties of (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid?

(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid has a molecular weight of 577.67 g/mol, XLogP of 0.11, 28 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid is sourced from PubChem (CID 162244742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).