3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid

C199H310N10O35S10 — CID 159074504

About 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid

3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid (PubChem CID 159074504) has the molecular formula C199H310N10O35S10 and a molecular weight of 3723.37 g/mol. Its IUPAC name is 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid
• PubChem CID: 159074504
• Molecular Formula: C199H310N10O35S10
• Molecular Weight: 3723.37 g/mol
• Exact Mass: 3720.00
• IUPAC Name: 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid
• SMILES: CC.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)CCSSCCN)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)CCSSCCNC(=O)CCOCC(COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@H]6C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@H]43)(COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@@]6(C)C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@H]43)COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@H]6C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@]43C)[C@@]1(C)[C@H]2C.O=COCCOCC(COCCOC=O)(COCCOC=O)COCCC(=O)O
• InChI: InChI=1S/C148H226N8O20S8.C32H50N2O3S2.C17H28O12.C2H6/c1-88-68-123-135(96(9)145(173-123)47-32-108-111-24-20-100-72-104(157)28-43-137(100,13)119(111)76-114(108)92(145)5)153(80-88)131(165)39-60-177-181-64-52-149-127(161)35-56-169-84-144(85-170-57-36-128(162)150-53-65-182-178-61-40-132(166)154-81-89(2)69-124-136(154)97(10)146(174-124)51-50-141(17)117-27-23-103-75-107(160)31-46-140(103,16)122(117)79-118(141)95(146)8,86-171-58-37-129(163)151-54-66-183-179-62-41-133(167)155-82-90(3)70-125-142(155,18)98(11)147(175-125)48-33-109-112-25-21-101-73-105(158)29-44-138(101,14)120(112)77-115(109)93(147)6)87-172-59-38-130(164)152-55-67-184-180-63-42-134(168)156-83-91(4)71-126-143(156,19)99(12)148(176-126)49-34-110-113-26-22-102-74-106(159)30-45-139(102,15)121(113)78-116(110)94(148)7;1-19-15-28-30(34(18-19)29(36)9-13-38-39-14-12-33)21(3)32(37-28)11-8-24-25-6-5-22-16-23(35)7-10-31(22,4)27(25)17-26(24)20(32)2;18-13-27-6-3-24-10-17(9-23-2-1-16(21)22,11-25-4-7-28-14-19)12-26-5-8-29-15-20;1-2/h20-23,88-91,96-99,104-113,117,119-126,135-136,157-160H,24-87H2,1-19H3,(H,149,161)(H,150,162)(H,151,163)(H,152,164);5,19,21,23-25,27-28,30,35H,6-18,33H2,1-4H3;13-15H,1-12H2,(H,21,22);1-2H3/t88-,89-,90-,91+,96+,97+,98+,99-,104-,105-,106+,107-,108-,109-,110+,111-,112-,113+,117+,119-,120-,121+,122-,123+,124+,125+,126-,135-,136-,137-,138-,139+,140-,141-,142-,143+,144?,145-,146-,147-,148+;19-,21+,23-,24-,25-,27-,28+,30-,31-,32-;;/m10../s1
• InChIKey: KABRWINQKLLHLJ-ZFVIYGPCSA-N
• XLogP: 31.37
• TPSA: 581.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 45
• Rotatable Bonds: 77
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3723.37
LogP ≤ 5	31.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid?

The IUPAC name of 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid (CID 159074504) is 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid.

What is the SMILES notation for 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid?

The canonical SMILES for 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid is CC.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)CCSSCCN)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)CCSSCCNC(=O)CCOCC(COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@H]6C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@H]43)(COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@@]6(C)C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@H]43)COCCC(=O)NCCSSCCC(=O)N3C[C@H](C)C[C@@H]4O[C@@]5(CC[C@H]6C(=C5C)C[C@@H]5[C@@H]6CC=C6C[C@H](O)CC[C@]65C)[C@@H](C)[C@]43C)[C@@]1(C)[C@H]2C.O=COCCOCC(COCCOC=O)(COCCOC=O)COCCC(=O)O.

What is the InChIKey of 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid?

The InChIKey is KABRWINQKLLHLJ-ZFVIYGPCSA-N. The full InChI is InChI=1S/C148H226N8O20S8.C32H50N2O3S2.C17H28O12.C2H6/c1-88-68-123-135(96(9)145(173-123)47-32-108-111-24-20-100-72-104(157)28-43-137(100,13)119(111)76-114(108)92(145)5)153(80-88)131(165)39-60-177-181-64-52-149-127(161)35-56-169-84-144(85-170-57-36-128(162)150-53-65-182-178-61-40-132(166)154-81-89(2)69-124-136(154)97(10)146(174-124)51-50-141(17)117-27-23-103-75-107(160)31-46-140(103,16)122(117)79-118(141)95(146)8,86-171-58-37-129(163)151-54-66-183-179-62-41-133(167)155-82-90(3)70-125-142(155,18)98(11)147(175-125)48-33-109-112-25-21-101-73-105(158)29-44-138(101,14)120(112)77-115(109)93(147)6)87-172-59-38-130(164)152-55-67-184-180-63-42-134(168)156-83-91(4)71-126-143(156,19)99(12)148(176-126)49-34-110-113-26-22-102-74-106(159)30-45-139(102,15)121(113)78-116(110)94(148)7;1-19-15-28-30(34(18-19)29(36)9-13-38-39-14-12-33)21(3)32(37-28)11-8-24-25-6-5-22-16-23(35)7-10-31(22,4)27(25)17-26(24)20(32)2;18-13-27-6-3-24-10-17(9-23-2-1-16(21)22,11-25-4-7-28-14-19)12-26-5-8-29-15-20;1-2/h20-23,88-91,96-99,104-113,117,119-126,135-136,157-160H,24-87H2,1-19H3,(H,149,161)(H,150,162)(H,151,163)(H,152,164);5,19,21,23-25,27-28,30,35H,6-18,33H2,1-4H3;13-15H,1-12H2,(H,21,22);1-2H3/t88-,89-,90-,91+,96+,97+,98+,99-,104-,105-,106+,107-,108-,109-,110+,111-,112-,113+,117+,119-,120-,121+,122-,123+,124+,125+,126-,135-,136-,137-,138-,139+,140-,141-,142-,143+,144?,145-,146-,147-,148+;19-,21+,23-,24-,25-,27-,28+,30-,31-,32-;;/m10../s1.

What are the key properties of 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid?

3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid has a molecular weight of 3723.37 g/mol, XLogP of 31.37, 77 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3-[2-[[3-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-2-[[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',3'a,6',10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[[3-[(3R,3'S,3'aR,6'R,6aS,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',6b,10,11b-pentamethylspiro[1,2,3,4,6,6a,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]propoxy]-N-[2-[[3-[(3R,3'S,3'aR,6'R,6aR,6bR,7'aS,9S,11aR,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-oxopropyl]disulfanyl]ethyl]propanamide;1-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]-3-(2-aminoethyldisulfanyl)propan-1-one;ethane;3-[3-(2-formyloxyethoxy)-2,2-bis(2-formyloxyethoxymethyl)propoxy]propanoic acid is sourced from PubChem (CID 159074504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).