6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid

C19H32N8O6 — CID 18492681

About 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid

6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid (PubChem CID 18492681) has the molecular formula C19H32N8O6 and a molecular weight of 468.52 g/mol. Its IUPAC name is 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid
• PubChem CID: 18492681
• Molecular Formula: C19H32N8O6
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.24
• IUPAC Name: 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid
• SMILES: CC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C19H32N8O6/c1-10(25-17(30)12(21)6-11-8-23-9-24-11)16(29)27-14(7-15(22)28)18(31)26-13(19(32)33)4-2-3-5-20/h8-10,12-14H,2-7,20-21H2,1H3,(H2,22,28)(H,23,24)(H,25,30)(H,26,31)(H,27,29)(H,32,33)
• InChIKey: GYZLJTYBSRAQIZ-UHFFFAOYSA-N
• XLogP: -3.16
• TPSA: 248.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	-3.16
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 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid (CID 18492681) is 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid is CC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O.

What is the InChIKey of 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid?

The InChIKey is GYZLJTYBSRAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O6/c1-10(25-17(30)12(21)6-11-8-23-9-24-11)16(29)27-14(7-15(22)28)18(31)26-13(19(32)33)4-2-3-5-20/h8-10,12-14H,2-7,20-21H2,1H3,(H2,22,28)(H,23,24)(H,25,30)(H,26,31)(H,27,29)(H,32,33).

What are the key properties of 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid?

6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid has a molecular weight of 468.52 g/mol, XLogP of -3.16, 15 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[4-amino-2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid is sourced from PubChem (CID 18492681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).