(2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid

C51H59N9O27S — CID 164948331

About (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid

(2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid (PubChem CID 164948331) has the molecular formula C51H59N9O27S and a molecular weight of 1262.14 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid
• PubChem CID: 164948331
• Molecular Formula: C51H59N9O27S
• Molecular Weight: 1262.14 g/mol
• Exact Mass: 1261.32
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid
• SMILES: O=C(CCC(=O)NCC(=O)CCCC(=O)ON1C(=O)CCC1=O)CNC(=O)CCCN1C(=O)C=CC1=O.O=C(CCN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O.O=C(ON1C(=O)CCC1=O)C(CCN1C(=O)C=CC1=O)S(=O)(=O)O
• InChI: InChI=1S/C23H28N4O10.C16H19N3O8.C12H12N2O9S/c28-15(3-1-5-23(36)37-27-21(34)10-11-22(27)35)13-25-18(31)7-6-16(29)14-24-17(30)4-2-12-26-19(32)8-9-20(26)33;20-11(5-8-18-12(21)1-2-13(18)22)17-7-10-26-9-6-16(25)27-19-14(23)3-4-15(19)24;15-8-1-2-9(16)13(8)6-5-7(24(20,21)22)12(19)23-14-10(17)3-4-11(14)18/h8-9H,1-7,10-14H2,(H,24,30)(H,25,31);1-2H,3-10H2,(H,17,20);1-2,7H,3-6H2,(H,20,21,22)
• InChIKey: AEMLMOFBVNQKHU-UHFFFAOYSA-N
• XLogP: -4.78
• TPSA: 488.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1262.14
LogP ≤ 5	-4.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid (CID 164948331) is (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid is O=C(CCC(=O)NCC(=O)CCCC(=O)ON1C(=O)CCC1=O)CNC(=O)CCCN1C(=O)C=CC1=O.O=C(CCN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O.O=C(ON1C(=O)CCC1=O)C(CCN1C(=O)C=CC1=O)S(=O)(=O)O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid?

The InChIKey is AEMLMOFBVNQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O10.C16H19N3O8.C12H12N2O9S/c28-15(3-1-5-23(36)37-27-21(34)10-11-22(27)35)13-25-18(31)7-6-16(29)14-24-17(30)4-2-12-26-19(32)8-9-20(26)33;20-11(5-8-18-12(21)1-2-13(18)22)17-7-10-26-9-6-16(25)27-19-14(23)3-4-15(19)24;15-8-1-2-9(16)13(8)6-5-7(24(20,21)22)12(19)23-14-10(17)3-4-11(14)18/h8-9H,1-7,10-14H2,(H,24,30)(H,25,31);1-2H,3-10H2,(H,17,20);1-2,7H,3-6H2,(H,20,21,22).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid?

(2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid has a molecular weight of 1262.14 g/mol, XLogP of -4.78, 32 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 6-[[5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-oxopentanoyl]amino]-5-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate;1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid is sourced from PubChem (CID 164948331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).