6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

C22H42N10O7 — CID 18243037

About 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid (PubChem CID 18243037) has the molecular formula C22H42N10O7 and a molecular weight of 558.64 g/mol. Its IUPAC name is 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
• PubChem CID: 18243037
• Molecular Formula: C22H42N10O7
• Molecular Weight: 558.64 g/mol
• Exact Mass: 558.32
• IUPAC Name: 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
• SMILES: NCCCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCN=C(N)N)C(=O)O
• InChI: InChI=1S/C22H42N10O7/c23-10-2-1-5-15(21(38)39)32-20(37)14(7-9-17(26)34)31-19(36)13(6-8-16(25)33)30-18(35)12(24)4-3-11-29-22(27)28/h12-15H,1-11,23-24H2,(H2,25,33)(H2,26,34)(H,30,35)(H,31,36)(H,32,37)(H,38,39)(H4,27,28,29)
• InChIKey: HMZSRARKFHJVNF-UHFFFAOYSA-N
• XLogP: -4.43
• TPSA: 327.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.64
LogP ≤ 5	-4.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

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-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid (CID 18243037) is 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid.

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

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

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

The InChIKey is HMZSRARKFHJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N10O7/c23-10-2-1-5-15(21(38)39)32-20(37)14(7-9-17(26)34)31-19(36)13(6-8-16(25)33)30-18(35)12(24)4-3-11-29-22(27)28/h12-15H,1-11,23-24H2,(H2,25,33)(H2,26,34)(H,30,35)(H,31,36)(H,32,37)(H,38,39)(H4,27,28,29).

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

6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid has a molecular weight of 558.64 g/mol, XLogP of -4.43, 21 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid is sourced from PubChem (CID 18243037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).