5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid

C225H308N16O65 — CID 157344598

About 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid

5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid (PubChem CID 157344598) has the molecular formula C225H308N16O65 and a molecular weight of 4276.99 g/mol. Its IUPAC name is 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
• PubChem CID: 157344598
• Molecular Formula: C225H308N16O65
• Molecular Weight: 4276.99 g/mol
• Exact Mass: 4274.13
• IUPAC Name: 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
• SMILES: Cc1cc(CCC(=O)CC(CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)ccc1O.Cc1cc(CCC(=O)NCCCCC(NC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCCCC(CC(=O)C(CCCCNC(=O)CCc2ccc(O)c(O)c2)NC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)ccc1O.Cc1ccc(CCC(=O)NCCCCC(CC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)cc1O
• InChI: InChI=1S/C98H132N8O28.C68H92N4O20.C59H84N4O17/c1-66-55-68(18-29-82(66)111)22-33-90(119)100-40-10-7-15-81(106-93(122)36-25-72-21-32-85(114)89(118)60-72)98(128)101-41-8-5-13-73(63-86(115)80(105-92(121)35-24-71-20-31-84(113)88(117)59-71)14-6-9-39-99-91(120)34-23-70-19-30-83(112)87(116)58-70)95(125)102-42-44-130-46-48-132-50-52-134-54-53-133-51-49-131-47-45-129-43-38-77(108)61-74(57-69-16-26-76(107)27-17-69)96(126)104-65-79(110)62-75(56-67-11-3-2-4-12-67)97(127)103-64-78(109)28-37-94(123)124;1-48-10-11-51(41-62(48)79)16-22-64(81)69-25-6-5-9-53(43-57(74)19-14-52-15-21-61(78)63(80)42-52)66(84)70-26-28-88-30-32-90-34-36-92-38-37-91-35-33-89-31-29-87-27-24-58(75)44-54(40-50-12-17-56(73)18-13-50)67(85)72-47-60(77)45-55(39-49-7-3-2-4-8-49)68(86)71-46-59(76)20-23-65(82)83;1-43-35-45(13-18-55(43)69)12-16-51(65)38-47(9-5-6-21-60)57(72)61-22-24-76-26-28-78-30-32-80-34-33-79-31-29-77-27-25-75-23-20-52(66)39-48(37-46-10-14-50(64)15-11-46)58(73)63-42-54(68)40-49(36-44-7-3-2-4-8-44)59(74)62-41-53(67)17-19-56(70)71/h2-4,11-12,16-21,26-27,29-32,55,58-60,73-75,80-81,107,111-114,116-118H,5-10,13-15,22-25,28,33-54,56-57,61-65H2,1H3,(H,99,120)(H,100,119)(H,101,128)(H,102,125)(H,103,127)(H,104,126)(H,105,121)(H,106,122)(H,123,124);2-4,7-8,10-13,15,17-18,21,41-42,53-55,73,78-80H,5-6,9,14,16,19-20,22-40,43-47H2,1H3,(H,69,81)(H,70,84)(H,71,86)(H,72,85)(H,82,83);2-4,7-8,10-11,13-15,18,35,47-49,64,69H,5-6,9,12,16-17,19-34,36-42,60H2,1H3,(H,61,72)(H,62,74)(H,63,73)(H,70,71)
• InChIKey: BGUNUUNPTFXNMB-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 1228.62 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 63
• Rotatable Bonds: 172
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4276.99
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?

The IUPAC name of 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid (CID 157344598) is 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid.

What is the SMILES notation for 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?

The canonical SMILES for 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid is Cc1cc(CCC(=O)CC(CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)ccc1O.Cc1cc(CCC(=O)NCCCCC(NC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCCCC(CC(=O)C(CCCCNC(=O)CCc2ccc(O)c(O)c2)NC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)ccc1O.Cc1ccc(CCC(=O)NCCCCC(CC(=O)CCc2ccc(O)c(O)c2)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)CC(Cc2ccc(O)cc2)C(=O)NCC(=O)CC(Cc2ccccc2)C(=O)NCC(=O)CCC(=O)O)cc1O.

What is the InChIKey of 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?

The InChIKey is BGUNUUNPTFXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H132N8O28.C68H92N4O20.C59H84N4O17/c1-66-55-68(18-29-82(66)111)22-33-90(119)100-40-10-7-15-81(106-93(122)36-25-72-21-32-85(114)89(118)60-72)98(128)101-41-8-5-13-73(63-86(115)80(105-92(121)35-24-71-20-31-84(113)88(117)59-71)14-6-9-39-99-91(120)34-23-70-19-30-83(112)87(116)58-70)95(125)102-42-44-130-46-48-132-50-52-134-54-53-133-51-49-131-47-45-129-43-38-77(108)61-74(57-69-16-26-76(107)27-17-69)96(126)104-65-79(110)62-75(56-67-11-3-2-4-12-67)97(127)103-64-78(109)28-37-94(123)124;1-48-10-11-51(41-62(48)79)16-22-64(81)69-25-6-5-9-53(43-57(74)19-14-52-15-21-61(78)63(80)42-52)66(84)70-26-28-88-30-32-90-34-36-92-38-37-91-35-33-89-31-29-87-27-24-58(75)44-54(40-50-12-17-56(73)18-13-50)67(85)72-47-60(77)45-55(39-49-7-3-2-4-8-49)68(86)71-46-59(76)20-23-65(82)83;1-43-35-45(13-18-55(43)69)12-16-51(65)38-47(9-5-6-21-60)57(72)61-22-24-76-26-28-78-30-32-80-34-33-79-31-29-77-27-25-75-23-20-52(66)39-48(37-46-10-14-50(64)15-11-46)58(73)63-42-54(68)40-49(36-44-7-3-2-4-8-44)59(74)62-41-53(67)17-19-56(70)71/h2-4,11-12,16-21,26-27,29-32,55,58-60,73-75,80-81,107,111-114,116-118H,5-10,13-15,22-25,28,33-54,56-57,61-65H2,1H3,(H,99,120)(H,100,119)(H,101,128)(H,102,125)(H,103,127)(H,104,126)(H,105,121)(H,106,122)(H,123,124);2-4,7-8,10-13,15,17-18,21,41-42,53-55,73,78-80H,5-6,9,14,16,19-20,22-40,43-47H2,1H3,(H,69,81)(H,70,84)(H,71,86)(H,72,85)(H,82,83);2-4,7-8,10-11,13-15,18,35,47-49,64,69H,5-6,9,12,16-17,19-34,36-42,60H2,1H3,(H,61,72)(H,62,74)(H,63,73)(H,70,71).

What are the key properties of 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?

5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid has a molecular weight of 4276.99 g/mol, XLogP of 15.89, 172 rotatable bonds, 33 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[[6-[2-[2-[2-[2-[2-[2-[[2-(4-aminobutyl)-6-(4-hydroxy-3-methylphenyl)-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-2-benzyl-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[5,9-bis[3-(3,4-dihydroxyphenyl)propanoylamino]-2-[4-[[2-[3-(3,4-dihydroxyphenyl)propanoylamino]-6-[3-(4-hydroxy-3-methylphenyl)propanoylamino]hexanoyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid;5-[[2-benzyl-5-[[6-[2-[2-[2-[2-[2-[2-[[6-(3,4-dihydroxyphenyl)-2-[4-[3-(3-hydroxy-4-methylphenyl)propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(4-hydroxyphenyl)methyl]-4-oxohexanoyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 157344598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).