6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

C36H73N13O7 — CID 22447195

About 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid (PubChem CID 22447195) has the molecular formula C36H73N13O7 and a molecular weight of 800.06 g/mol. Its IUPAC name is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
• PubChem CID: 22447195
• Molecular Formula: C36H73N13O7
• Molecular Weight: 800.06 g/mol
• Exact Mass: 799.58
• IUPAC Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
• SMILES: CCC(C)C(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C36H73N13O7/c1-3-23(2)29(49-30(50)24(41)13-12-22-44-36(42)43)34(54)47-27(16-6-10-20-39)32(52)45-25(14-4-8-18-37)31(51)46-26(15-5-9-19-38)33(53)48-28(35(55)56)17-7-11-21-40/h23-29H,3-22,37-41H2,1-2H3,(H,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,50)(H,55,56)(H4,42,43,44)
• InChIKey: AZYNCERHJAMZBQ-UHFFFAOYSA-N
• XLogP: -2.56
• TPSA: 377.30 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	800.06
LogP ≤ 5	-2.56
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid (CID 22447195) is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid is CCC(C)C(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O.

What is the InChIKey of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The InChIKey is AZYNCERHJAMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73N13O7/c1-3-23(2)29(49-30(50)24(41)13-12-22-44-36(42)43)34(54)47-27(16-6-10-20-39)32(52)45-25(14-4-8-18-37)31(51)46-26(15-5-9-19-38)33(53)48-28(35(55)56)17-7-11-21-40/h23-29H,3-22,37-41H2,1-2H3,(H,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,50)(H,55,56)(H4,42,43,44).

What are the key properties of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid has a molecular weight of 800.06 g/mol, XLogP of -2.56, 33 rotatable bonds, 13 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 22447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).