[(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate

C126H200N6O50S4 — CID 58320341

About [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate

[(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate (PubChem CID 58320341) has the molecular formula C126H200N6O50S4 and a molecular weight of 2727.25 g/mol. Its IUPAC name is [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate.

Molecular Properties

• Compound Name: [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate
• PubChem CID: 58320341
• Molecular Formula: C126H200N6O50S4
• Molecular Weight: 2727.25 g/mol
• Exact Mass: 2725.22
• IUPAC Name: [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate
• SMILES: CCC(CSCC1O[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(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@@H]7CC(=O)N[C@@H](/C(C)=C/c8csc(C)n8)C[C@H]8O[C@@]8(C)CCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)C7(C)C)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)NCCCCCC(=O)O[C@@H]1CC(=O)N[C@@H](/C(C)=C/c2csc(C)n2)C[C@H]2O[C@@]2(C)CCC[C@@H](C)C[C@H](C)C(=O)C1(C)C
• InChI: InChI=1S/C126H200N6O50S4/c1-17-68(114(161)127-34-22-18-20-28-88(142)172-82-46-86(140)131-73(61(4)41-70-55-185-66(9)129-70)44-84-125(15,181-84)32-24-26-59(2)40-63(6)112(159)123(82,11)12)53-183-57-80-110-96(150)103(157)121(170-80)177-108-78(51-136)166-117(99(153)92(108)146)174-105-75(48-133)165-116(98(152)91(105)145)175-106-77(50-135)169-120(102(156)95(106)149)180-111-81(171-122(104(158)97(111)151)178-109-79(52-137)167-118(100(154)93(109)147)176-107-76(49-134)168-119(179-110)101(155)94(107)148)58-184-54-69(43-72(139)31-37-164-39-38-163-36-30-64(7)138)115(162)128-35-23-19-21-29-89(143)173-83-47-87(141)132-74(62(5)42-71-56-186-67(10)130-71)45-85-126(16,182-85)33-25-27-60(3)90(144)65(8)113(160)124(83,13)14/h41-42,55-56,59-60,63,65,68-69,73-85,90-111,116-122,133-137,144-158H,17-40,43-54,57-58H2,1-16H3,(H,127,161)(H,128,162)(H,131,140)(H,132,141)/b61-41+,62-42+/t59-,60-,63+,65+,68?,69?,73-,74-,75?,76?,77?,78?,79?,80?,81?,82-,83-,84-,85-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99?,100?,101?,102?,103?,104?,105+,106+,107+,108+,109+,110+,111+,116+,117+,118+,119+,120+,121+,122+,125+,126+/m1/s1
• InChIKey: OUAHKAUZXUJJPZ-DNGGWGAYSA-N
• XLogP: -0.13
• TPSA: 840.40 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 56
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.25
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate?

The IUPAC name of [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate (CID 58320341) is [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate.

What is the SMILES notation for [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate?

The canonical SMILES for [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate is CCC(CSCC1O[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(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@@H]7CC(=O)N[C@@H](/C(C)=C/c8csc(C)n8)C[C@H]8O[C@@]8(C)CCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)C7(C)C)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)NCCCCCC(=O)O[C@@H]1CC(=O)N[C@@H](/C(C)=C/c2csc(C)n2)C[C@H]2O[C@@]2(C)CCC[C@@H](C)C[C@H](C)C(=O)C1(C)C.

What is the InChIKey of [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate?

The InChIKey is OUAHKAUZXUJJPZ-DNGGWGAYSA-N. The full InChI is InChI=1S/C126H200N6O50S4/c1-17-68(114(161)127-34-22-18-20-28-88(142)172-82-46-86(140)131-73(61(4)41-70-55-185-66(9)129-70)44-84-125(15,181-84)32-24-26-59(2)40-63(6)112(159)123(82,11)12)53-183-57-80-110-96(150)103(157)121(170-80)177-108-78(51-136)166-117(99(153)92(108)146)174-105-75(48-133)165-116(98(152)91(105)145)175-106-77(50-135)169-120(102(156)95(106)149)180-111-81(171-122(104(158)97(111)151)178-109-79(52-137)167-118(100(154)93(109)147)176-107-76(49-134)168-119(179-110)101(155)94(107)148)58-184-54-69(43-72(139)31-37-164-39-38-163-36-30-64(7)138)115(162)128-35-23-19-21-29-89(143)173-83-47-87(141)132-74(62(5)42-71-56-186-67(10)130-71)45-85-126(16,182-85)33-25-27-60(3)90(144)65(8)113(160)124(83,13)14/h41-42,55-56,59-60,63,65,68-69,73-85,90-111,116-122,133-137,144-158H,17-40,43-54,57-58H2,1-16H3,(H,127,161)(H,128,162)(H,131,140)(H,132,141)/b61-41+,62-42+/t59-,60-,63+,65+,68?,69?,73-,74-,75?,76?,77?,78?,79?,80?,81?,82-,83-,84-,85-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99?,100?,101?,102?,103?,104?,105+,106+,107+,108+,109+,110+,111+,116+,117+,118+,119+,120+,121+,122+,125+,126+/m1/s1.

What are the key properties of [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate?

[(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate has a molecular weight of 2727.25 g/mol, XLogP of -0.13, 45 rotatable bonds, 24 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,7R,10S,12R,16S)-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-7-yl] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[2-[[6-[[(1R,3R,7R,10S,11R,12R,16S)-11-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-7-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]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]butanoylamino]hexanoate is sourced from PubChem (CID 58320341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).