5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid

C22H42N12O7 — CID 22700995

About 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid (PubChem CID 22700995) has the molecular formula C22H42N12O7 and a molecular weight of 586.66 g/mol. Its IUPAC name is 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 22700995
• Molecular Formula: C22H42N12O7
• Molecular Weight: 586.66 g/mol
• Exact Mass: 586.33
• IUPAC Name: 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• SMILES: NC(=O)CCC(N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C22H42N12O7/c23-11(5-7-15(24)35)17(37)32-12(3-1-9-30-21(26)27)18(38)33-13(4-2-10-31-22(28)29)19(39)34-14(20(40)41)6-8-16(25)36/h11-14H,1-10,23H2,(H2,24,35)(H2,25,36)(H,32,37)(H,33,38)(H,34,39)(H,40,41)(H4,26,27,30)(H4,28,29,31)
• InChIKey: NSJQAWBEIQTXJS-UHFFFAOYSA-N
• XLogP: -5.51
• TPSA: 365.60 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.66
LogP ≤ 5	-5.51
H-Bond Donors ≤ 5	11
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 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid (CID 22700995) is 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

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

What is the InChIKey of 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is NSJQAWBEIQTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N12O7/c23-11(5-7-15(24)35)17(37)32-12(3-1-9-30-21(26)27)18(38)33-13(4-2-10-31-22(28)29)19(39)34-14(20(40)41)6-8-16(25)36/h11-14H,1-10,23H2,(H2,24,35)(H2,25,36)(H,32,37)(H,33,38)(H,34,39)(H,40,41)(H4,26,27,30)(H4,28,29,31).

What are the key properties of 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 586.66 g/mol, XLogP of -5.51, 21 rotatable bonds, 11 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 22700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).