5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

C26H44N10O11S2 — CID 23088280

About 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 23088280) has the molecular formula C26H44N10O11S2 and a molecular weight of 736.83 g/mol. Its IUPAC name is 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 23088280
• Molecular Formula: C26H44N10O11S2
• Molecular Weight: 736.83 g/mol
• Exact Mass: 736.26
• IUPAC Name: 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• SMILES: NC(=O)CCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C26H44N10O11S2/c27-11(1-5-17(28)37)21(41)32-12(2-6-18(29)38)23(43)35-16(10-49)25(45)36-15(9-48)24(44)33-13(3-7-19(30)39)22(42)34-14(26(46)47)4-8-20(31)40/h11-16,48-49H,1-10,27H2,(H2,28,37)(H2,29,38)(H2,30,39)(H2,31,40)(H,32,41)(H,33,44)(H,34,42)(H,35,43)(H,36,45)(H,46,47)
• InChIKey: TXSNMTIYXHYEOT-UHFFFAOYSA-N
• XLogP: -6.26
• TPSA: 381.18 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	736.83
LogP ≤ 5	-6.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 23088280) is 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is TXSNMTIYXHYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N10O11S2/c27-11(1-5-17(28)37)21(41)32-12(2-6-18(29)38)23(43)35-16(10-49)25(45)36-15(9-48)24(44)33-13(3-7-19(30)39)22(42)34-14(26(46)47)4-8-20(31)40/h11-16,48-49H,1-10,27H2,(H2,28,37)(H2,29,38)(H2,30,39)(H2,31,40)(H,32,41)(H,33,44)(H,34,42)(H,35,43)(H,36,45)(H,46,47).

What are the key properties of 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 736.83 g/mol, XLogP of -6.26, 25 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 23088280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).