[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate

C273H484N10O91S6 — CID 167697862

About [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate

[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate (PubChem CID 167697862) has the molecular formula C273H484N10O91S6 and a molecular weight of 5555.26 g/mol. Its IUPAC name is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate.

Molecular Properties

• Compound Name: [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
• PubChem CID: 167697862
• Molecular Formula: C273H484N10O91S6
• Molecular Weight: 5555.26 g/mol
• Exact Mass: 5551.19
• IUPAC Name: [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
• SMILES: COC[C@H]1C[C@H](OC)CC1C(=O)CCCCC(=O)CCC(C)(C)SSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C.COC[C@H]1C[C@H](OC)CC1C(=O)CCCCC(=O)CCCSSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C.COC[C@H]1C[C@H](OC)CN1C(=O)CCCCC(=O)CCCSSCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C94H167N3O31S2.C92H163N3O31S2.C87H154N4O29S2/c1-66-83(109)86(112)76(62-98)126-89(66)122-48-25-33-70(101)31-17-11-8-16-24-47-97-92(115)125-53-30-43-94(41-28-51-120-81(107)37-18-12-9-14-22-45-95-79(105)35-26-49-123-90-67(2)84(110)87(113)77(63-99)127-90,42-29-52-121-82(108)38-19-13-10-15-23-46-96-80(106)36-27-50-124-91-68(3)85(111)88(114)78(64-100)128-91)61-72(103)40-54-118-55-56-119-57-58-129-130-93(4,5)44-39-71(102)32-20-21-34-75(104)74-60-73(117-7)59-69(74)65-116-6;1-65-82(107)85(110)75(61-96)124-88(65)120-46-23-32-69(99)30-15-9-6-14-22-45-95-91(113)123-51-29-42-92(40-27-49-118-80(105)37-16-10-7-12-20-43-93-78(103)35-24-47-121-89-66(2)83(108)86(111)76(62-97)125-89,41-28-50-119-81(106)38-17-11-8-13-21-44-94-79(104)36-25-48-122-90-67(3)84(109)87(112)77(63-98)126-90)60-71(101)39-52-116-53-54-117-55-57-128-127-56-26-33-70(100)31-18-19-34-74(102)73-59-72(115-5)58-68(73)64-114-4;1-61-77(103)80(106)69(57-92)118-83(61)114-46-23-32-65(95)30-15-9-6-14-22-45-90-86(109)117-51-29-42-87(55-67(97)39-53-122-121-52-26-33-66(96)31-18-19-36-74(100)91-56-68(111-5)54-64(91)60-110-4,40-27-49-112-75(101)37-16-10-7-12-20-43-88-72(98)34-24-47-115-84-62(2)78(104)81(107)70(58-93)119-84)41-28-50-113-76(102)38-17-11-8-13-21-44-89-73(99)35-25-48-116-85-63(3)79(105)82(108)71(59-94)120-85/h66-69,73-74,76-78,83-91,98-100,109-114H,8-65H2,1-7H3,(H,95,105)(H,96,106)(H,97,115);65-68,72-73,75-77,82-90,96-98,107-112H,6-64H2,1-5H3,(H,93,103)(H,94,104)(H,95,113);61-64,68-71,77-85,92-94,103-108H,6-60H2,1-5H3,(H,88,98)(H,89,99)(H,90,109)/t66?,67?,68?,69-,73+,74?,76?,77?,78?,83?,84?,85?,86?,87?,88?,89?,90?,91?,94?;65?,66?,67?,68-,72+,73?,75?,76?,77?,82?,83?,84?,85?,86?,87?,88?,89?,90?,92?;61?,62?,63?,64-,68+,69?,70?,71?,77?,78?,79?,80?,81?,82?,83?,84?,85?,87?/m111/s1
• InChIKey: XYADPVGEVOPRNB-UHTYAOFHSA-N
• XLogP: 25.24
• TPSA: 1460.12 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 97
• Rotatable Bonds: 230
• Heavy Atoms: 380
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5555.26
LogP ≤ 5	25.24
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	97

Frequently Asked Questions

What is the IUPAC name of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The IUPAC name of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate (CID 167697862) is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate.

What is the SMILES notation for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The canonical SMILES for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate is COC[C@H]1C[C@H](OC)CC1C(=O)CCCCC(=O)CCC(C)(C)SSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C.COC[C@H]1C[C@H](OC)CC1C(=O)CCCCC(=O)CCCSSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C.COC[C@H]1C[C@H](OC)CN1C(=O)CCCCC(=O)CCCSSCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC1OC(CO)C(O)C(O)C1C)CCCOC(=O)NCCCCCCCC(=O)CCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The InChIKey is XYADPVGEVOPRNB-UHTYAOFHSA-N. The full InChI is InChI=1S/C94H167N3O31S2.C92H163N3O31S2.C87H154N4O29S2/c1-66-83(109)86(112)76(62-98)126-89(66)122-48-25-33-70(101)31-17-11-8-16-24-47-97-92(115)125-53-30-43-94(41-28-51-120-81(107)37-18-12-9-14-22-45-95-79(105)35-26-49-123-90-67(2)84(110)87(113)77(63-99)127-90,42-29-52-121-82(108)38-19-13-10-15-23-46-96-80(106)36-27-50-124-91-68(3)85(111)88(114)78(64-100)128-91)61-72(103)40-54-118-55-56-119-57-58-129-130-93(4,5)44-39-71(102)32-20-21-34-75(104)74-60-73(117-7)59-69(74)65-116-6;1-65-82(107)85(110)75(61-96)124-88(65)120-46-23-32-69(99)30-15-9-6-14-22-45-95-91(113)123-51-29-42-92(40-27-49-118-80(105)37-16-10-7-12-20-43-93-78(103)35-24-47-121-89-66(2)83(108)86(111)76(62-97)125-89,41-28-50-119-81(106)38-17-11-8-13-21-44-94-79(104)36-25-48-122-90-67(3)84(109)87(112)77(63-98)126-90)60-71(101)39-52-116-53-54-117-55-57-128-127-56-26-33-70(100)31-18-19-34-74(102)73-59-72(115-5)58-68(73)64-114-4;1-61-77(103)80(106)69(57-92)118-83(61)114-46-23-32-65(95)30-15-9-6-14-22-45-90-86(109)117-51-29-42-87(55-67(97)39-53-122-121-52-26-33-66(96)31-18-19-36-74(100)91-56-68(111-5)54-64(91)60-110-4,40-27-49-112-75(101)37-16-10-7-12-20-43-88-72(98)34-24-47-115-84-62(2)78(104)81(107)70(58-93)119-84)41-28-50-113-76(102)38-17-11-8-13-21-44-89-73(99)35-25-48-116-85-63(3)79(105)82(108)71(59-94)120-85/h66-69,73-74,76-78,83-91,98-100,109-114H,8-65H2,1-7H3,(H,95,105)(H,96,106)(H,97,115);65-68,72-73,75-77,82-90,96-98,107-112H,6-64H2,1-5H3,(H,93,103)(H,94,104)(H,95,113);61-64,68-71,77-85,92-94,103-108H,6-60H2,1-5H3,(H,88,98)(H,89,99)(H,90,109)/t66?,67?,68?,69-,73+,74?,76?,77?,78?,83?,84?,85?,86?,87?,88?,89?,90?,91?,94?;65?,66?,67?,68-,72+,73?,75?,76?,77?,82?,83?,84?,85?,86?,87?,88?,89?,90?,92?;61?,62?,63?,64-,68+,69?,70?,71?,77?,78?,79?,80?,81?,82?,83?,84?,85?,87?/m111/s1.

What are the key properties of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate has a molecular weight of 5555.26 g/mol, XLogP of 25.24, 230 rotatable bonds, 36 hydrogen bond donors, and 97 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[9-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2S,4S)-4-methoxy-2-(methoxymethyl)cyclopentyl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate is sourced from PubChem (CID 167697862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).