[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate

C101H128N8O48S2 — CID 140524305

About [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate (PubChem CID 140524305) has the molecular formula C101H128N8O48S2 and a molecular weight of 2286.28 g/mol. Its IUPAC name is [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate.

Molecular Properties

• Compound Name: [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate
• PubChem CID: 140524305
• Molecular Formula: C101H128N8O48S2
• Molecular Weight: 2286.28 g/mol
• Exact Mass: 2284.73
• IUPAC Name: [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate
• SMILES: CC[C@@]1(OC(=O)CNC(=O)[C@@H](CSCC2O[C@H]3O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@@H](O[C@@H]7C(CSC[C@@H](NC(=O)COCCCCC(C)=O)C(=O)NCC(=O)O[C@]8(CC)C(=O)OCc9c8cc8n(c9=O)Cc9cc%10ccccc%10nc9-8)O[C@H](O[C@@H]8C(CO)O[C@@H](O[C@@H]9C(CO)O[C@@H](O[C@H]2[C@H](O)C3O)C(O)[C@@H]9O)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)NC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
• InChI: InChI=1S/C101H128N8O48S2/c1-5-100(46-21-52-64-42(19-40-14-7-9-16-48(40)106-64)25-108(52)89(135)44(46)32-140-98(100)137)156-62(117)23-103-87(133)50(102-4)35-158-37-59-85-71(124)78(131)96(147-59)152-83-57(30-113)143-92(74(127)67(83)120)149-80-54(27-110)142-91(73(126)66(80)119)150-81-56(29-112)146-95(77(130)70(81)123)155-86-60(148-97(79(132)72(86)125)153-84-58(31-114)144-93(75(128)68(84)121)151-82-55(28-111)145-94(154-85)76(129)69(82)122)38-159-36-51(105-61(116)34-139-18-12-11-13-39(3)115)88(134)104-24-63(118)157-101(6-2)47-22-53-65-43(20-41-15-8-10-17-49(41)107-65)26-109(53)90(136)45(47)33-141-99(101)138/h7-10,14-17,19-22,50-51,54-60,66-86,91-97,102,110-114,119-132H,5-6,11-13,18,23-38H2,1-4H3,(H,103,133)(H,104,134)(H,105,116)/t50-,51-,54?,55?,56?,57?,58?,59?,60?,66-,67-,68-,69+,70-,71-,72-,73?,74?,75?,76?,77?,78?,79?,80-,81-,82-,83-,84-,85-,86-,91-,92-,93+,94+,95+,96+,97-,100+,101+/m1/s1
• InChIKey: SPQRXJPSUSLKQY-FWXTVRSMSA-N
• XLogP: -10.38
• TPSA: 814.20 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 55
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.28
LogP ≤ 5	-10.38
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate?

The IUPAC name of [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate (CID 140524305) is [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate.

What is the SMILES notation for [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate?

The canonical SMILES for [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate is CC[C@@]1(OC(=O)CNC(=O)[C@@H](CSCC2O[C@H]3O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@@H](O[C@@H]7C(CSC[C@@H](NC(=O)COCCCCC(C)=O)C(=O)NCC(=O)O[C@]8(CC)C(=O)OCc9c8cc8n(c9=O)Cc9cc%10ccccc%10nc9-8)O[C@H](O[C@@H]8C(CO)O[C@@H](O[C@@H]9C(CO)O[C@@H](O[C@H]2[C@H](O)C3O)C(O)[C@@H]9O)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)NC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.

What is the InChIKey of [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate?

The InChIKey is SPQRXJPSUSLKQY-FWXTVRSMSA-N. The full InChI is InChI=1S/C101H128N8O48S2/c1-5-100(46-21-52-64-42(19-40-14-7-9-16-48(40)106-64)25-108(52)89(135)44(46)32-140-98(100)137)156-62(117)23-103-87(133)50(102-4)35-158-37-59-85-71(124)78(131)96(147-59)152-83-57(30-113)143-92(74(127)67(83)120)149-80-54(27-110)142-91(73(126)66(80)119)150-81-56(29-112)146-95(77(130)70(81)123)155-86-60(148-97(79(132)72(86)125)153-84-58(31-114)144-93(75(128)68(84)121)151-82-55(28-111)145-94(154-85)76(129)69(82)122)38-159-36-51(105-61(116)34-139-18-12-11-13-39(3)115)88(134)104-24-63(118)157-101(6-2)47-22-53-65-43(20-41-15-8-10-17-49(41)107-65)26-109(53)90(136)45(47)33-141-99(101)138/h7-10,14-17,19-22,50-51,54-60,66-86,91-97,102,110-114,119-132H,5-6,11-13,18,23-38H2,1-4H3,(H,103,133)(H,104,134)(H,105,116)/t50-,51-,54?,55?,56?,57?,58?,59?,60?,66-,67-,68-,69+,70-,71-,72-,73?,74?,75?,76?,77?,78?,79?,80-,81-,82-,83-,84-,85-,86-,91-,92-,93+,94+,95+,96+,97-,100+,101+/m1/s1.

What are the key properties of [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate?

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate has a molecular weight of 2286.28 g/mol, XLogP of -10.38, 32 rotatable bonds, 23 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[(2S)-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46S,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-2-oxoethyl]amino]-3-oxo-2-[[2-(5-oxohexoxy)acetyl]amino]propyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]acetate is sourced from PubChem (CID 140524305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).