(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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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

C131H210N38O33S6 — CID 73357291

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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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 73357291) has the molecular formula C131H210N38O33S6 and a molecular weight of 3037.76 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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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: 73357291
• Molecular Formula: C131H210N38O33S6
• Molecular Weight: 3037.76 g/mol
• Exact Mass: 3035.42
• 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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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(OCCCCCO)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/C131H210N38O33S6/c1-66(2)47-83-108(180)143-57-102(176)148-79(30-24-41-141-130(136)137)110(182)163-93-60-204-203-46-39-101(175)149-91(55-100(134)174)120(192)157-87(51-70(9)10)116(188)159-90(54-77-56-140-65-145-77)119(191)158-88(52-75-27-18-16-19-28-75)117(189)166-96-63-207-205-61-94(165-118(190)89(53-76-33-35-78(36-34-76)202-45-23-17-22-44-170)160-128(200)105(74(15)172)168-127(199)98-32-26-43-169(98)129(201)73(14)147-123(93)195)122(194)146-72(13)107(179)162-97(126(198)167-104(71(11)12)106(135)178)64-208-206-62-95(164-112(184)81(31-25-42-142-131(138)139)151-115(187)86(50-69(7)8)156-113(185)82(153-125(96)197)37-38-99(133)173)124(196)152-80(29-20-21-40-132)111(183)161-92(59-171)121(193)155-84(48-67(3)4)109(181)144-58-103(177)150-85(49-68(5)6)114(186)154-83/h16,18-19,27-28,33-36,56,65-74,79-98,104-105,170-172H,17,20-26,29-32,37-55,57-64,132H2,1-15H3,(H2,133,173)(H2,134,174)(H2,135,178)(H,140,145)(H,143,180)(H,144,181)(H,146,194)(H,147,195)(H,148,176)(H,149,175)(H,150,177)(H,151,187)(H,152,196)(H,153,197)(H,154,186)(H,155,193)(H,156,185)(H,157,192)(H,158,191)(H,159,188)(H,160,200)(H,161,183)(H,162,179)(H,163,182)(H,164,184)(H,165,190)(H,166,189)(H,167,198)(H,168,199)(H4,136,137,141)(H4,138,139,142)/t72-,73-,74+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,104-,105-/m0/s1
• InChIKey: HIGVWSFVMPBWPZ-NEYLYBLFSA-N
• XLogP: -8.49
• TPSA: 1125.50 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 43
• Rotatable Bonds: 45
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3037.76
LogP ≤ 5	-8.49
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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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 73357291) 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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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(OCCCCCO)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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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 HIGVWSFVMPBWPZ-NEYLYBLFSA-N. The full InChI is InChI=1S/C131H210N38O33S6/c1-66(2)47-83-108(180)143-57-102(176)148-79(30-24-41-141-130(136)137)110(182)163-93-60-204-203-46-39-101(175)149-91(55-100(134)174)120(192)157-87(51-70(9)10)116(188)159-90(54-77-56-140-65-145-77)119(191)158-88(52-75-27-18-16-19-28-75)117(189)166-96-63-207-205-61-94(165-118(190)89(53-76-33-35-78(36-34-76)202-45-23-17-22-44-170)160-128(200)105(74(15)172)168-127(199)98-32-26-43-169(98)129(201)73(14)147-123(93)195)122(194)146-72(13)107(179)162-97(126(198)167-104(71(11)12)106(135)178)64-208-206-62-95(164-112(184)81(31-25-42-142-131(138)139)151-115(187)86(50-69(7)8)156-113(185)82(153-125(96)197)37-38-99(133)173)124(196)152-80(29-20-21-40-132)111(183)161-92(59-171)121(193)155-84(48-67(3)4)109(181)144-58-103(177)150-85(49-68(5)6)114(186)154-83/h16,18-19,27-28,33-36,56,65-74,79-98,104-105,170-172H,17,20-26,29-32,37-55,57-64,132H2,1-15H3,(H2,133,173)(H2,134,174)(H2,135,178)(H,140,145)(H,143,180)(H,144,181)(H,146,194)(H,147,195)(H,148,176)(H,149,175)(H,150,177)(H,151,187)(H,152,196)(H,153,197)(H,154,186)(H,155,193)(H,156,185)(H,157,192)(H,158,191)(H,159,188)(H,160,200)(H,161,183)(H,162,179)(H,163,182)(H,164,184)(H,165,190)(H,166,189)(H,167,198)(H,168,199)(H4,136,137,141)(H4,138,139,142)/t72-,73-,74+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,104-,105-/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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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 3037.76 g/mol, XLogP of -8.49, 45 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)-69-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-66-[[4-(5-hydroxypentoxy)phenyl]methyl]-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 73357291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).