(2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate

C21H26N6O10 — CID 90805150

About (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate

(2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate (PubChem CID 90805150) has the molecular formula C21H26N6O10 and a molecular weight of 522.47 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate
• PubChem CID: 90805150
• Molecular Formula: C21H26N6O10
• Molecular Weight: 522.47 g/mol
• Exact Mass: 522.17
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate
• SMILES: NC(=O)CNC(=O)CNC(=O)C(CCC(=O)On1c(O)ccc1O)NC(=O)CCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C21H26N6O10/c22-13(28)10-23-15(30)11-24-21(36)12(3-8-20(35)37-27-18(33)6-7-19(27)34)25-14(29)2-1-9-26-16(31)4-5-17(26)32/h4-7,12,33-34H,1-3,8-11H2,(H2,22,28)(H,23,30)(H,24,36)(H,25,29)
• InChIKey: RDZGVXIROQDQTC-UHFFFAOYSA-N
• XLogP: -3.46
• TPSA: 239.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	522.47
LogP ≤ 5	-3.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate (CID 90805150) is (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate is NC(=O)CNC(=O)CNC(=O)C(CCC(=O)On1c(O)ccc1O)NC(=O)CCCN1C(=O)C=CC1=O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate?

The InChIKey is RDZGVXIROQDQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O10/c22-13(28)10-23-15(30)11-24-21(36)12(3-8-20(35)37-27-18(33)6-7-19(27)34)25-14(29)2-1-9-26-16(31)4-5-17(26)32/h4-7,12,33-34H,1-3,8-11H2,(H2,22,28)(H,23,30)(H,24,36)(H,25,29).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate?

(2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate has a molecular weight of 522.47 g/mol, XLogP of -3.46, 14 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate is sourced from PubChem (CID 90805150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).