[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide

C100H161N6O46S7+ — CID 161225409

About [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide

[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide (PubChem CID 161225409) has the molecular formula C100H161N6O46S7+ and a molecular weight of 2407.85 g/mol. Its IUPAC name is [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide.

Molecular Properties

• Compound Name: [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide
• PubChem CID: 161225409
• Molecular Formula: C100H161N6O46S7+
• Molecular Weight: 2407.85 g/mol
• Exact Mass: 2405.85
• IUPAC Name: [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide
• SMILES: C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](OC(=O)CCCSSc2ccccn2)C(C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1.CO.[CH2+]C(=O)CCOCCOCCC(=O)C[C@H](CSCC1O[C@@H]2O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO)O[C@@H](O[C@@H]5C(CSC[C@@H](NC)C(=O)NCCS)O[C@@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@H](O[C@@H]8C(CO)O[C@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCS
• InChI: InChI=1S/C63H105N3O39S4.C36H51N3O6S3.CH4O/c1-23(72)3-7-90-9-10-91-8-4-25(73)13-24(55(88)65-5-11-106)19-108-21-32-53-39(79)46(86)62(97-32)102-51-30(17-70)93-59(42(82)35(51)75)101-50-29(16-69)96-61(45(85)38(50)78)105-54-33(22-109-20-26(64-2)56(89)66-6-12-107)98-63(47(87)40(54)80)103-52-31(18-71)94-58(43(83)36(52)76)99-48-27(14-67)92-57(41(81)34(48)74)100-49-28(15-68)95-60(104-53)44(84)37(49)77;1-22-12-10-15-36(7)29(45-36)19-27(23(2)18-26-21-46-25(4)38-26)39-30(41)20-28(40)35(5,6)34(43)24(3)33(22)44-32(42)14-11-17-47-48-31-13-8-9-16-37-31;1-2/h24,26-54,57-64,67-71,74-87H,1,3-22H2,2H3,(H3-,65,66,88,89,106,107);8-9,13,16,18,21-22,24,27-29,33,40H,10-12,14-15,17,19-20H2,1-7H3,(H,39,41);2H,1H3/p+1/b;23-18+;/t24-,26-,27?,28?,29?,30?,31?,32?,33?,34-,35-,36-,37-,38-,39-,40-,41?,42?,43?,44?,45?,46?,47?,48-,49-,50-,51-,52-,53-,54-,57-,58-,59+,60-,61+,62-,63+;22-,24?,27-,28-,29-,33-,36+;/m10./s1
• InChIKey: UYAZUJVOZNBPBL-QPEUNXRFSA-O
• XLogP: -6.45
• TPSA: 787.66 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 56
• Rotatable Bonds: 40
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2407.85
LogP ≤ 5	-6.45
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide?

The IUPAC name of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide (CID 161225409) is [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide.

What is the SMILES notation for [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide?

The canonical SMILES for [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide is C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](OC(=O)CCCSSc2ccccn2)C(C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1.CO.[CH2+]C(=O)CCOCCOCCC(=O)C[C@H](CSCC1O[C@@H]2O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO)O[C@@H](O[C@@H]5C(CSC[C@@H](NC)C(=O)NCCS)O[C@@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@H](O[C@@H]8C(CO)O[C@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCS.

What is the InChIKey of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide?

The InChIKey is UYAZUJVOZNBPBL-QPEUNXRFSA-O. The full InChI is InChI=1S/C63H105N3O39S4.C36H51N3O6S3.CH4O/c1-23(72)3-7-90-9-10-91-8-4-25(73)13-24(55(88)65-5-11-106)19-108-21-32-53-39(79)46(86)62(97-32)102-51-30(17-70)93-59(42(82)35(51)75)101-50-29(16-69)96-61(45(85)38(50)78)105-54-33(22-109-20-26(64-2)56(89)66-6-12-107)98-63(47(87)40(54)80)103-52-31(18-71)94-58(43(83)36(52)76)99-48-27(14-67)92-57(41(81)34(48)74)100-49-28(15-68)95-60(104-53)44(84)37(49)77;1-22-12-10-15-36(7)29(45-36)19-27(23(2)18-26-21-46-25(4)38-26)39-30(41)20-28(40)35(5,6)34(43)24(3)33(22)44-32(42)14-11-17-47-48-31-13-8-9-16-37-31;1-2/h24,26-54,57-64,67-71,74-87H,1,3-22H2,2H3,(H3-,65,66,88,89,106,107);8-9,13,16,18,21-22,24,27-29,33,40H,10-12,14-15,17,19-20H2,1-7H3,(H,39,41);2H,1H3/p+1/b;23-18+;/t24-,26-,27?,28?,29?,30?,31?,32?,33?,34-,35-,36-,37-,38-,39-,40-,41?,42?,43?,44?,45?,46?,47?,48-,49-,50-,51-,52-,53-,54-,57-,58-,59+,60-,61+,62-,63+;22-,24?,27-,28-,29-,33-,36+;/m10./s1.

What are the key properties of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide?

[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide has a molecular weight of 2407.85 g/mol, XLogP of -6.45, 40 rotatable bonds, 27 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl] 4-(pyridin-2-yldisulfanyl)butanoate;methanol;(2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-N-(2-sulfanylethyl)-2-[[(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[[(2S)-2-(methylamino)-3-oxo-3-(2-sulfanylethylamino)propyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]hexanamide is sourced from PubChem (CID 161225409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).