(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide

C130H208N38O33S6 — CID 73349710

About (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide

(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide (PubChem CID 73349710) has the molecular formula C130H208N38O33S6 and a molecular weight of 3023.73 g/mol. Its IUPAC name is (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide.

Molecular Properties

• Compound Name: (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide
• PubChem CID: 73349710
• Molecular Formula: C130H208N38O33S6
• Molecular Weight: 3023.73 g/mol
• Exact Mass: 3021.41
• IUPAC Name: (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide
• SMILES: [H]/N=C(/N)NCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccc(OCCCCO)cc4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CSSCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](C)NC3=O)NC1=O
• InChI: InChI=1S/C130H208N38O33S6/c1-65(2)46-82-107(179)142-56-101(175)147-78(29-23-40-140-129(135)136)109(181)162-92-59-203-202-45-38-100(174)148-90(54-99(133)173)119(191)156-86(50-69(9)10)115(187)158-89(53-76-55-139-64-144-76)118(190)157-87(51-74-26-17-16-18-27-74)116(188)165-95-62-206-204-60-93(164-117(189)88(52-75-32-34-77(35-33-75)201-44-22-21-43-169)159-127(199)104(73(15)171)167-126(198)97-31-25-42-168(97)128(200)72(14)146-122(92)194)121(193)145-71(13)106(178)161-96(125(197)166-103(70(11)12)105(134)177)63-207-205-61-94(163-111(183)80(30-24-41-141-130(137)138)150-114(186)85(49-68(7)8)155-112(184)81(152-124(95)196)36-37-98(132)172)123(195)151-79(28-19-20-39-131)110(182)160-91(58-170)120(192)154-83(47-66(3)4)108(180)143-57-102(176)149-84(48-67(5)6)113(185)153-82/h16-18,26-27,32-35,55,64-73,78-97,103-104,169-171H,19-25,28-31,36-54,56-63,131H2,1-15H3,(H2,132,172)(H2,133,173)(H2,134,177)(H,139,144)(H,142,179)(H,143,180)(H,145,193)(H,146,194)(H,147,175)(H,148,174)(H,149,176)(H,150,186)(H,151,195)(H,152,196)(H,153,185)(H,154,192)(H,155,184)(H,156,191)(H,157,190)(H,158,187)(H,159,199)(H,160,182)(H,161,178)(H,162,181)(H,163,183)(H,164,189)(H,165,188)(H,166,197)(H,167,198)(H4,135,136,140)(H4,137,138,141)/t71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,103-,104-/m0/s1
• InChIKey: WUNGQEBMCJRCTM-XFXIIERMSA-N
• XLogP: -8.88
• TPSA: 1125.50 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 43
• Rotatable Bonds: 44
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.73
LogP ≤ 5	-8.88
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'crown_ether', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide?

The IUPAC name of (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide (CID 73349710) is (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide.

What is the SMILES notation for (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide?

The canonical SMILES for (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide is [H]/N=C(/N)NCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccc(OCCCCO)cc4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CSSCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](C)NC3=O)NC1=O.

What is the InChIKey of (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide?

The InChIKey is WUNGQEBMCJRCTM-XFXIIERMSA-N. The full InChI is InChI=1S/C130H208N38O33S6/c1-65(2)46-82-107(179)142-56-101(175)147-78(29-23-40-140-129(135)136)109(181)162-92-59-203-202-45-38-100(174)148-90(54-99(133)173)119(191)156-86(50-69(9)10)115(187)158-89(53-76-55-139-64-144-76)118(190)157-87(51-74-26-17-16-18-27-74)116(188)165-95-62-206-204-60-93(164-117(189)88(52-75-32-34-77(35-33-75)201-44-22-21-43-169)159-127(199)104(73(15)171)167-126(198)97-31-25-42-168(97)128(200)72(14)146-122(92)194)121(193)145-71(13)106(178)161-96(125(197)166-103(70(11)12)105(134)177)63-207-205-61-94(163-111(183)80(30-24-41-141-130(137)138)150-114(186)85(49-68(7)8)155-112(184)81(152-124(95)196)36-37-98(132)172)123(195)151-79(28-19-20-39-131)110(182)160-91(58-170)120(192)154-83(47-66(3)4)108(180)143-57-102(176)149-84(48-67(5)6)113(185)153-82/h16-18,26-27,32-35,55,64-73,78-97,103-104,169-171H,19-25,28-31,36-54,56-63,131H2,1-15H3,(H2,132,172)(H2,133,173)(H2,134,177)(H,139,144)(H,142,179)(H,143,180)(H,145,193)(H,146,194)(H,147,175)(H,148,174)(H,149,176)(H,150,186)(H,151,195)(H,152,196)(H,153,185)(H,154,192)(H,155,184)(H,156,191)(H,157,190)(H,158,187)(H,159,199)(H,160,182)(H,161,178)(H,162,181)(H,163,183)(H,164,189)(H,165,188)(H,166,197)(H,167,198)(H4,135,136,140)(H4,137,138,141)/t71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,103-,104-/m0/s1.

What are the key properties of (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide?

(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide has a molecular weight of 3023.73 g/mol, XLogP of -8.88, 44 rotatable bonds, 39 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis(3-carbamimidamidopropyl)-66-[[4-(4-hydroxybutoxy)phenyl]methyl]-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide is sourced from PubChem (CID 73349710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).