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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate

C123H194N6O53S8 — CID 161400695

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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate (PubChem CID 161400695) has the molecular formula C123H194N6O53S8 and a molecular weight of 2861.43 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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate
• PubChem CID: 161400695
• Molecular Formula: C123H194N6O53S8
• Molecular Weight: 2861.43 g/mol
• Exact Mass: 2859.04
• 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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate
• SMILES: CN[C@H](CSCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@]4(O)CO[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]7[C@@H](C)CCC[C@@]8(C)O[C@H]8C[C@@H](/C(C)=C/c8csc(C)n8)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]7C)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)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/C123H194N6O53S8/c1-56-20-17-25-121(14)80(180-121)41-69(58(3)38-66-50-185-63(8)126-66)128-82(138)43-78(136)119(10,11)106(154)61(6)98(56)172-84(140)22-19-34-187-189-37-33-164-110(158)71(124-16)52-184-54-77-105-89(145)95(151)116(171-77)176-103-75(48-133)169-117(96(152)90(103)146)182-123(160)55-165-111(97(153)108(123)156)173-100-72(45-130)166-113(91(147)85(100)141)177-104-76(170-115(94(150)88(104)144)175-102-74(47-132)167-112(92(148)86(102)142)174-101-73(46-131)168-114(178-105)93(149)87(101)143)53-183-49-65(40-68(135)24-29-162-31-30-161-28-23-60(5)134)109(157)163-32-36-190-188-35-27-125-118(159)179-99-57(2)21-18-26-122(15)81(181-122)42-70(59(4)39-67-51-186-64(9)127-67)129-83(139)44-79(137)120(12,13)107(155)62(99)7/h38-39,50-51,56-57,61-62,65,69-81,85-105,108,111-117,124,130-133,136-137,141-153,156,160H,17-37,40-49,52-55H2,1-16H3,(H,125,159)(H,128,138)(H,129,139)/b58-38+,59-39+/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+,108+,111+,112+,113+,114+,115+,116+,117+,121+,122+,123+/m0/s1
• InChIKey: VURGLRGXIFCSKZ-OKGGBXCMSA-N
• XLogP: -1.18
• TPSA: 879.09 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 64
• Rotatable Bonds: 47
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.43
LogP ≤ 5	-1.18
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	64

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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate (CID 161400695) 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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate is CN[C@H](CSCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@]4(O)CO[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]7[C@@H](C)CCC[C@@]8(C)O[C@H]8C[C@@H](/C(C)=C/c8csc(C)n8)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]7C)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)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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate?

The InChIKey is VURGLRGXIFCSKZ-OKGGBXCMSA-N. The full InChI is InChI=1S/C123H194N6O53S8/c1-56-20-17-25-121(14)80(180-121)41-69(58(3)38-66-50-185-63(8)126-66)128-82(138)43-78(136)119(10,11)106(154)61(6)98(56)172-84(140)22-19-34-187-189-37-33-164-110(158)71(124-16)52-184-54-77-105-89(145)95(151)116(171-77)176-103-75(48-133)169-117(96(152)90(103)146)182-123(160)55-165-111(97(153)108(123)156)173-100-72(45-130)166-113(91(147)85(100)141)177-104-76(170-115(94(150)88(104)144)175-102-74(47-132)167-112(92(148)86(102)142)174-101-73(46-131)168-114(178-105)93(149)87(101)143)53-183-49-65(40-68(135)24-29-162-31-30-161-28-23-60(5)134)109(157)163-32-36-190-188-35-27-125-118(159)179-99-57(2)21-18-26-122(15)81(181-122)42-70(59(4)39-67-51-186-64(9)127-67)129-83(139)44-79(137)120(12,13)107(155)62(99)7/h38-39,50-51,56-57,61-62,65,69-81,85-105,108,111-117,124,130-133,136-137,141-153,156,160H,17-37,40-49,52-55H2,1-16H3,(H,125,159)(H,128,138)(H,129,139)/b58-38+,59-39+/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+,108+,111+,112+,113+,114+,115+,116+,117+,121+,122+,123+/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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate has a molecular weight of 2861.43 g/mol, XLogP of -1.18, 47 rotatable bonds, 25 hydrogen bond donors, and 64 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-[[(1S,3S,6S,8R,11S,13R,16R,18R,21S,23S,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-25-[[(2S)-3-[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]-2-(methylamino)-3-oxopropyl]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]hexanoate is sourced from PubChem (CID 161400695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).