5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

C22H41N7O7 — CID 18298869

About 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 18298869) has the molecular formula C22H41N7O7 and a molecular weight of 515.61 g/mol. Its IUPAC name is 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 18298869
• Molecular Formula: C22H41N7O7
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.31
• IUPAC Name: 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(C)CC(N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C22H41N7O7/c1-12(2)11-13(24)19(32)27-14(5-3-4-10-23)20(33)28-15(6-8-17(25)30)21(34)29-16(22(35)36)7-9-18(26)31/h12-16H,3-11,23-24H2,1-2H3,(H2,25,30)(H2,26,31)(H,27,32)(H,28,33)(H,29,34)(H,35,36)
• InChIKey: YCVJAKIGIPPFOR-UHFFFAOYSA-N
• XLogP: -2.44
• TPSA: 262.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	-2.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 18298869) is 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is CC(C)CC(N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is YCVJAKIGIPPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N7O7/c1-12(2)11-13(24)19(32)27-14(5-3-4-10-23)20(33)28-15(6-8-17(25)30)21(34)29-16(22(35)36)7-9-18(26)31/h12-16H,3-11,23-24H2,1-2H3,(H2,25,30)(H2,26,31)(H,27,32)(H,28,33)(H,29,34)(H,35,36).

What are the key properties of 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 515.61 g/mol, XLogP of -2.44, 19 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).