N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide

C106H128N10O16 — CID 91025428

About N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide

N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide (PubChem CID 91025428) has the molecular formula C106H128N10O16 and a molecular weight of 1798.24 g/mol. Its IUPAC name is N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide
• PubChem CID: 91025428
• Molecular Formula: C106H128N10O16
• Molecular Weight: 1798.24 g/mol
• Exact Mass: 1796.95
• IUPAC Name: N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide
• SMILES: CCc1cc(Cc2cc(CC)c(-n3c(O)cc(N(CCC(C)(C)N(C(C)=O)c4cc(O)n(-c5c(CC)cc(Cc6cc(CC)c(-n7c(O)cc(N(CCC(C)(CC)N(C(C)=O)c8cc(O)n(-c9c(CC)cc(Cc%10cc(CC)c(N%11C(=O)C=CC%11=O)c(CC)c%10)cc9CC)c8O)C(C)=O)c7O)c(CC)c6)cc5CC)c4O)C(C)=O)c3O)c(CC)c2)cc(CC)c1N1C(=O)C=CC1=O
• InChI: InChI=1S/C106H128N10O16/c1-21-71-45-65(46-72(22-2)95(71)109-87(121)34-35-88(109)122)42-67-49-75(25-5)97(76(26-6)50-67)111-91(125)57-83(101(111)129)107(61(14)117)40-38-105(18,19)115(63(16)119)85-59-93(127)113(103(85)131)99-79(29-9)53-70(54-80(99)30-10)44-69-51-77(27-7)98(78(28-8)52-69)112-92(126)58-84(102(112)130)108(62(15)118)41-39-106(20,33-13)116(64(17)120)86-60-94(128)114(104(86)132)100-81(31-11)55-68(56-82(100)32-12)43-66-47-73(23-3)96(74(24-4)48-66)110-89(123)36-37-90(110)124/h34-37,45-60,125-132H,21-33,38-44H2,1-20H3
• InChIKey: XYQULHDQVDAHEZ-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 337.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.24
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide?

The IUPAC name of N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide (CID 91025428) is N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide.

What is the SMILES notation for N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide?

The canonical SMILES for N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide is CCc1cc(Cc2cc(CC)c(-n3c(O)cc(N(CCC(C)(C)N(C(C)=O)c4cc(O)n(-c5c(CC)cc(Cc6cc(CC)c(-n7c(O)cc(N(CCC(C)(CC)N(C(C)=O)c8cc(O)n(-c9c(CC)cc(Cc%10cc(CC)c(N%11C(=O)C=CC%11=O)c(CC)c%10)cc9CC)c8O)C(C)=O)c7O)c(CC)c6)cc5CC)c4O)C(C)=O)c3O)c(CC)c2)cc(CC)c1N1C(=O)C=CC1=O.

What is the InChIKey of N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide?

The InChIKey is XYQULHDQVDAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H128N10O16/c1-21-71-45-65(46-72(22-2)95(71)109-87(121)34-35-88(109)122)42-67-49-75(25-5)97(76(26-6)50-67)111-91(125)57-83(101(111)129)107(61(14)117)40-38-105(18,19)115(63(16)119)85-59-93(127)113(103(85)131)99-79(29-9)53-70(54-80(99)30-10)44-69-51-77(27-7)98(78(28-8)52-69)112-92(126)58-84(102(112)130)108(62(15)118)41-39-106(20,33-13)116(64(17)120)86-60-94(128)114(104(86)132)100-81(31-11)55-68(56-82(100)32-12)43-66-47-73(23-3)96(74(24-4)48-66)110-89(123)36-37-90(110)124/h34-37,45-60,125-132H,21-33,38-44H2,1-20H3.

What are the key properties of N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide?

N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide has a molecular weight of 1798.24 g/mol, XLogP of 18.41, 37 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[acetyl-[1-[4-[[4-[3-[acetyl-[3-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylpentyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-3-methylbutyl]-N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]acetamide is sourced from PubChem (CID 91025428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).