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

C23H41N9O9 — CID 23290697

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

5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid (PubChem CID 23290697) has the molecular formula C23H41N9O9 and a molecular weight of 587.64 g/mol. Its IUPAC name is 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 23290697
• Molecular Formula: C23H41N9O9
• Molecular Weight: 587.64 g/mol
• Exact Mass: 587.30
• IUPAC Name: 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
• SMILES: NCCCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)CN)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C23H41N9O9/c24-10-2-1-3-12(20(37)32-15(23(40)41)6-9-18(28)35)30-22(39)14(5-8-17(27)34)31-21(38)13(4-7-16(26)33)29-19(36)11-25/h12-15H,1-11,24-25H2,(H2,26,33)(H2,27,34)(H2,28,35)(H,29,36)(H,30,39)(H,31,38)(H,32,37)(H,40,41)
• InChIKey: BZFMEUZWQMSOQP-UHFFFAOYSA-N
• XLogP: -5.11
• TPSA: 335.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.64
LogP ≤ 5	-5.11
H-Bond Donors ≤ 5	10
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-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid (CID 23290697) is 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid.

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

The canonical SMILES for 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid is NCCCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)CN)C(=O)NC(CCC(N)=O)C(=O)O.

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

The InChIKey is BZFMEUZWQMSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N9O9/c24-10-2-1-3-12(20(37)32-15(23(40)41)6-9-18(28)35)30-22(39)14(5-8-17(27)34)31-21(38)13(4-7-16(26)33)29-19(36)11-25/h12-15H,1-11,24-25H2,(H2,26,33)(H2,27,34)(H2,28,35)(H,29,36)(H,30,39)(H,31,38)(H,32,37)(H,40,41).

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

5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid has a molecular weight of 587.64 g/mol, XLogP of -5.11, 22 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 23290697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).