5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid

C29H55N5O10 — CID 176971759

About 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid

5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid (PubChem CID 176971759) has the molecular formula C29H55N5O10 and a molecular weight of 633.78 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid
• PubChem CID: 176971759
• Molecular Formula: C29H55N5O10
• Molecular Weight: 633.78 g/mol
• Exact Mass: 633.39
• IUPAC Name: 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid
• SMILES: CC(C)NC(CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(C(N)=O)C(C)C)C(=O)O
• InChI: InChI=1S/C29H55N5O10/c1-21(2)23(28(30)38)7-5-6-10-31-26(36)19-43-17-16-42-14-12-33-27(37)20-44-18-15-41-13-11-32-25(35)9-8-24(29(39)40)34-22(3)4/h21-24,34H,5-20H2,1-4H3,(H2,30,38)(H,31,36)(H,32,35)(H,33,37)(H,39,40)
• InChIKey: MSJXSBSLFWTJSM-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 216.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.78
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	6
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 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid?

The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid (CID 176971759) is 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid.

What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid?

The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(C(N)=O)C(C)C)C(=O)O.

What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid?

The InChIKey is MSJXSBSLFWTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N5O10/c1-21(2)23(28(30)38)7-5-6-10-31-26(36)19-43-17-16-42-14-12-33-27(37)20-44-18-15-41-13-11-32-25(35)9-8-24(29(39)40)34-22(3)4/h21-24,34H,5-20H2,1-4H3,(H2,30,38)(H,31,36)(H,32,35)(H,33,37)(H,39,40).

What are the key properties of 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid?

5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 633.78 g/mol, XLogP of -0.44, 29 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-[2-[2-[(5-carbamoyl-6-methylheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 176971759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).