(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper

C16H28CuN6O4 — CID 67689985

About (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper (PubChem CID 67689985) has the molecular formula C16H28CuN6O4 and a molecular weight of 431.98 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper
• PubChem CID: 67689985
• Molecular Formula: C16H28CuN6O4
• Molecular Weight: 431.98 g/mol
• Exact Mass: 431.15
• IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper
• SMILES: C[C@H](N)C(=O)N[C@@H](Cc1cncn1C)C(=O)N[C@@H](CCCCN)C(=O)O.[Cu]
• InChI: InChI=1S/C16H28N6O4.Cu/c1-10(18)14(23)21-13(7-11-8-19-9-22(11)2)15(24)20-12(16(25)26)5-3-4-6-17;/h8-10,12-13H,3-7,17-18H2,1-2H3,(H,20,24)(H,21,23)(H,25,26);/t10-,12-,13-;/m0./s1
• InChIKey: AATVZUBNPBRVRE-VHJJOGJUSA-N
• XLogP: -1.51
• TPSA: 165.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.98
LogP ≤ 5	-1.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper?

The IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper (CID 67689985) is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper.

What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper?

The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper is C[C@H](N)C(=O)N[C@@H](Cc1cncn1C)C(=O)N[C@@H](CCCCN)C(=O)O.[Cu].

What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper?

The InChIKey is AATVZUBNPBRVRE-VHJJOGJUSA-N. The full InChI is InChI=1S/C16H28N6O4.Cu/c1-10(18)14(23)21-13(7-11-8-19-9-22(11)2)15(24)20-12(16(25)26)5-3-4-6-17;/h8-10,12-13H,3-7,17-18H2,1-2H3,(H,20,24)(H,21,23)(H,25,26);/t10-,12-,13-;/m0./s1.

What are the key properties of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper?

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper has a molecular weight of 431.98 g/mol, XLogP of -1.51, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoic acid;copper is sourced from PubChem (CID 67689985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).