5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid

C22H43N11O6 — CID 18484375

About 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid

5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 18484375) has the molecular formula C22H43N11O6 and a molecular weight of 557.66 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid
• PubChem CID: 18484375
• Molecular Formula: C22H43N11O6
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.34
• IUPAC Name: 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid
• SMILES: CC(C)C(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O
• InChI: InChI=1S/C22H43N11O6/c1-11(2)16(33-17(35)12(23)7-8-15(24)34)19(37)31-13(5-3-9-29-21(25)26)18(36)32-14(20(38)39)6-4-10-30-22(27)28/h11-14,16H,3-10,23H2,1-2H3,(H2,24,34)(H,31,37)(H,32,36)(H,33,35)(H,38,39)(H4,25,26,29)(H4,27,28,30)
• InChIKey: FIBZZORIEUFPFP-UHFFFAOYSA-N
• XLogP: -4.12
• TPSA: 322.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	-4.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	8

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-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid?

The IUPAC name of 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid (CID 18484375) is 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid.

What is the SMILES notation for 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid?

The canonical SMILES for 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid is CC(C)C(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O.

What is the InChIKey of 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid?

The InChIKey is FIBZZORIEUFPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N11O6/c1-11(2)16(33-17(35)12(23)7-8-15(24)34)19(37)31-13(5-3-9-29-21(25)26)18(36)32-14(20(38)39)6-4-10-30-22(27)28/h11-14,16H,3-10,23H2,1-2H3,(H2,24,34)(H,31,37)(H,32,36)(H,33,35)(H,38,39)(H4,25,26,29)(H4,27,28,30).

What are the key properties of 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid?

5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 557.66 g/mol, XLogP of -4.12, 19 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 18484375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).