2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate

C124H196N6O54S8 — CID 58537069

About 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate

2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate (PubChem CID 58537069) has the molecular formula C124H196N6O54S8 and a molecular weight of 2891.46 g/mol. Its IUPAC name is 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate.

Molecular Properties

• Compound Name: 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate
• PubChem CID: 58537069
• Molecular Formula: C124H196N6O54S8
• Molecular Weight: 2891.46 g/mol
• Exact Mass: 2889.05
• IUPAC Name: 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate
• SMILES: CN[C@H](CCSC1O[C@H]2O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSC[C@@H](CC(=O)CCOCCOCCC(C)=O)C(=O)OCCSSCCNC(=O)O[C@@H]7C(C)C(=O)C(C)(C)[C@@H](O)CC(=O)N[C@H](/C(C)=C/c8csc(C)n8)C[C@@H]8O[C@]8(C)CCC[C@@H]7C)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@](O)(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)OCCSSCCCC(=O)O[C@H]1[C@@H](C)CCC[C@@]2(C)O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
• InChI: InChI=1S/C124H196N6O54S8/c1-56-20-17-26-122(14)80(182-122)43-70(58(3)40-66-53-187-63(8)127-66)129-82(140)45-78(138)120(10,11)107(156)61(6)98(56)172-84(142)22-19-35-189-191-39-34-166-111(160)69(125-16)25-36-186-118-106-90(148)96(154)117(180-118)176-103-75(50-134)168-113(92(150)88(103)146)173-100-72(47-131)167-112(91(149)85(100)143)174-101-73(48-132)170-115(94(152)87(101)145)178-105-77(171-116(95(153)89(105)147)175-102-74(49-133)169-114(93(151)86(102)144)177-104-76(51-135)181-124(162,184-106)109(158)97(104)155)55-185-52-65(42-68(137)24-30-164-32-31-163-29-23-60(5)136)110(159)165-33-38-192-190-37-28-126-119(161)179-99-57(2)21-18-27-123(15)81(183-123)44-71(59(4)41-67-54-188-64(9)128-67)130-83(141)46-79(139)121(12,13)108(157)62(99)7/h40-41,53-54,56-57,61-62,65,69-81,85-106,109,112-118,125,131-135,138-139,143-155,158,162H,17-39,42-52,55H2,1-16H3,(H,126,161)(H,129,140)(H,130,141)/b58-40+,59-41+/t56-,57-,61+,62?,65+,69+,70-,71-,72?,73?,74?,75?,76?,77?,78-,79-,80-,81-,85+,86+,87+,88+,89+,90+,91?,92?,93?,94?,95?,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,109?,112-,113-,114-,115-,116-,117+,118?,122+,123+,124+/m0/s1
• InChIKey: AFOBMHKSZRMTED-SUQYNUKASA-N
• XLogP: -1.47
• TPSA: 899.32 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 65
• Rotatable Bonds: 48
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2891.46
LogP ≤ 5	-1.47
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate?

The IUPAC name of 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate (CID 58537069) is 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate.

What is the SMILES notation for 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate?

The canonical SMILES for 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate is CN[C@H](CCSC1O[C@H]2O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSC[C@@H](CC(=O)CCOCCOCCC(C)=O)C(=O)OCCSSCCNC(=O)O[C@@H]7C(C)C(=O)C(C)(C)[C@@H](O)CC(=O)N[C@H](/C(C)=C/c8csc(C)n8)C[C@@H]8O[C@]8(C)CCC[C@@H]7C)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@](O)(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)OCCSSCCCC(=O)O[C@H]1[C@@H](C)CCC[C@@]2(C)O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C.

What is the InChIKey of 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate?

The InChIKey is AFOBMHKSZRMTED-SUQYNUKASA-N. The full InChI is InChI=1S/C124H196N6O54S8/c1-56-20-17-26-122(14)80(182-122)43-70(58(3)40-66-53-187-63(8)127-66)129-82(140)45-78(138)120(10,11)107(156)61(6)98(56)172-84(142)22-19-35-189-191-39-34-166-111(160)69(125-16)25-36-186-118-106-90(148)96(154)117(180-118)176-103-75(50-134)168-113(92(150)88(103)146)173-100-72(47-131)167-112(91(149)85(100)143)174-101-73(48-132)170-115(94(152)87(101)145)178-105-77(171-116(95(153)89(105)147)175-102-74(49-133)169-114(93(151)86(102)144)177-104-76(51-135)181-124(162,184-106)109(158)97(104)155)55-185-52-65(42-68(137)24-30-164-32-31-163-29-23-60(5)136)110(159)165-33-38-192-190-37-28-126-119(161)179-99-57(2)21-18-27-123(15)81(183-123)44-71(59(4)41-67-54-188-64(9)128-67)130-83(141)46-79(139)121(12,13)108(157)62(99)7/h40-41,53-54,56-57,61-62,65,69-81,85-106,109,112-118,125,131-135,138-139,143-155,158,162H,17-39,42-52,55H2,1-16H3,(H,126,161)(H,129,140)(H,130,141)/b58-40+,59-41+/t56-,57-,61+,62?,65+,69+,70-,71-,72?,73?,74?,75?,76?,77?,78-,79-,80-,81-,85+,86+,87+,88+,89+,90+,91?,92?,93?,94?,95?,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,109?,112-,113-,114-,115-,116-,117+,118?,122+,123+,124+/m0/s1.

What are the key properties of 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate?

2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate has a molecular weight of 2891.46 g/mol, XLogP of -1.47, 48 rotatable bonds, 26 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(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]oxycarbonylamino]ethyldisulfanyl]ethyl (2S)-4-oxo-6-[2-(3-oxobutoxy)ethoxy]-2-[[(1R,3R,6R,8S,11R,13S,16R,18S,21R,23R,26R,28R,31R,33S,36R,38R,40R,42R,44R,46R,48R)-28,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-25-[(3R)-4-[2-[[4-[[(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]oxy]-4-oxobutyl]disulfanyl]ethoxy]-3-(methylamino)-4-oxobutyl]sulfanyl-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]hexanoate is sourced from PubChem (CID 58537069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).