[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione

C270H484N12O89S6 — CID 158129508

IUPAC[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione
SMILESC.CC1C(OCCCC(=O)CCCCCCCNC(=O)OCCCC(C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC(=O)CCOCCOCCSSCCCC(=O)CCCCC(=O)N1C[C@@H](OC)C[C@@H]1COC.COC[C@H]1C[C@H](OC)CN1C(=O)CCCCC(=O)CCC(C)(C)SSCCC(=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
InChIInChI=1S/C89H158N4O29S2.C87H154N4O29S2.C68H123N3O24.C25H45NO7S2.CH4/c1-62-78(105)81(108)70(58-94)120-84(62)116-48-25-33-66(97)31-17-11-8-16-24-47-92-87(111)119-53-30-43-89(56-68(99)40-54-123-124-88(4,5)44-39-67(98)32-20-21-36-75(102)93-57-69(113-7)55-65(93)61-112-6,41-28-51-114-76(103)37-18-12-9-14-22-45-90-73(100)34-26-49-117-85-63(2)79(106)82(109)71(59-95)121-85)42-29-52-115-77(104)38-19-13-10-15-23-46-91-74(101)35-27-50-118-86-64(3)80(107)83(110)72(60-96)122-86;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;1-47-58(80)61(83)51(44-72)93-64(47)89-38-20-27-50(75)26-14-8-5-13-19-37-71-67(86)92-43-25-34-68(4,32-23-41-87-56(78)30-15-9-6-11-17-35-69-54(76)28-21-39-90-65-48(2)59(81)62(84)52(45-73)94-65)33-24-42-88-57(79)31-16-10-7-12-18-36-70-55(77)29-22-40-91-66-49(3)60(82)63(85)53(46-74)95-66;1-4-22(27)11-12-32-13-14-33-15-17-35-34-16-7-9-23(28)8-5-6-10-25(29)26-19-24(31-3)18-21(26)20-30-2;/h62-65,69-72,78-86,94-96,105-110H,8-61H2,1-7H3,(H,90,100)(H,91,101)(H,92,111);61-64,68-71,77-85,92-94,103-108H,6-60H2,1-5H3,(H,88,98)(H,89,99)(H,90,109);47-49,51-53,58-66,72-74,80-85H,5-46H2,1-4H3,(H,69,76)(H,70,77)(H,71,86);21,24H,4-20H2,1-3H3;1H4/t62?,63?,64?,65-,69+,70?,71?,72?,78?,79?,80?,81?,82?,83?,84?,85?,86?,89?;61?,62?,63?,64-,68+,69?,70?,71?,77?,78?,79?,80?,81?,82?,83?,84?,85?,87?;;21-,24+;/m11.1./s1
InChIKeyFSPDFAJAJQVMGI-YWPNBSLVSA-N
MW5515.24 g/mol
LogP24.88
Rot. Bonds221

About [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione

[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione (PubChem CID 158129508) has the molecular formula C270H484N12O89S6 and a molecular weight of 5515.24 g/mol. Its IUPAC name is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione.

Molecular Properties

Compound Name[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione
PubChem CID158129508
Molecular FormulaC270H484N12O89S6
Molecular Weight5515.24 g/mol
Exact Mass5511.20
IUPAC Name[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione
SMILESC.CC1C(OCCCC(=O)CCCCCCCNC(=O)OCCCC(C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC(=O)CCOCCOCCSSCCCC(=O)CCCCC(=O)N1C[C@@H](OC)C[C@@H]1COC.COC[C@H]1C[C@H](OC)CN1C(=O)CCCCC(=O)CCC(C)(C)SSCCC(=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
InChIInChI=1S/C89H158N4O29S2.C87H154N4O29S2.C68H123N3O24.C25H45NO7S2.CH4/c1-62-78(105)81(108)70(58-94)120-84(62)116-48-25-33-66(97)31-17-11-8-16-24-47-92-87(111)119-53-30-43-89(56-68(99)40-54-123-124-88(4,5)44-39-67(98)32-20-21-36-75(102)93-57-69(113-7)55-65(93)61-112-6,41-28-51-114-76(103)37-18-12-9-14-22-45-90-73(100)34-26-49-117-85-63(2)79(106)82(109)71(59-95)121-85)42-29-52-115-77(104)38-19-13-10-15-23-46-91-74(101)35-27-50-118-86-64(3)80(107)83(110)72(60-96)122-86;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;1-47-58(80)61(83)51(44-72)93-64(47)89-38-20-27-50(75)26-14-8-5-13-19-37-71-67(86)92-43-25-34-68(4,32-23-41-87-56(78)30-15-9-6-11-17-35-69-54(76)28-21-39-90-65-48(2)59(81)62(84)52(45-73)94-65)33-24-42-88-57(79)31-16-10-7-12-18-36-70-55(77)29-22-40-91-66-49(3)60(82)63(85)53(46-74)95-66;1-4-22(27)11-12-32-13-14-33-15-17-35-34-16-7-9-23(28)8-5-6-10-25(29)26-19-24(31-3)18-21(26)20-30-2;/h62-65,69-72,78-86,94-96,105-110H,8-61H2,1-7H3,(H,90,100)(H,91,101)(H,92,111);61-64,68-71,77-85,92-94,103-108H,6-60H2,1-5H3,(H,88,98)(H,89,99)(H,90,109);47-49,51-53,58-66,72-74,80-85H,5-46H2,1-4H3,(H,69,76)(H,70,77)(H,71,86);21,24H,4-20H2,1-3H3;1H4/t62?,63?,64?,65-,69+,70?,71?,72?,78?,79?,80?,81?,82?,83?,84?,85?,86?,89?;61?,62?,63?,64-,68+,69?,70?,71?,77?,78?,79?,80?,81?,82?,83?,84?,85?,87?;;21-,24+;/m11.1./s1
InChIKeyFSPDFAJAJQVMGI-YWPNBSLVSA-N
XLogP24.88
TPSA1448.14 Ų
H-Bond Donors36
H-Bond Acceptors95
Rotatable Bonds221
Heavy Atoms377
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005515.24
LogP ≤ 524.88
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1095

Analyze [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione with MolForge

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Related Compounds

[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-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-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-[[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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-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
CID 158775333
[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
[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-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-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;yttrium
CID 147883715
[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-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]oxyethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
CID 159882075
[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-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-4,9-dioxononyl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
CID 153246345
[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;1-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-9-(3-oxopentyldisulfanyl)nonane-1,6-dione;yttrium
CID 159601313
bis([4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxymethyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate);9-[2-(2-ethoxyethoxy)ethyldisulfanyl]-1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]nonane-1,6-dione;9-(ethyldisulfanyl)-1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]nonane-1,6-dione;methane
CID 162085382
[4-[3-[8-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoylamino]octanoate
CID 167614908
[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-(2-methylbutan-2-yldisulfanyl)ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
CID 58468383
[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononanoyl]amino]heptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane
CID 159680099
[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[5-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]amino]-5-oxopentyl]-9-[2-[2-[7-[(2R,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,7-dioxoheptoxy]ethoxy]ethylamino]-6,9-dioxononyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
CID 160733994
[4-[3-[8-[[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyacetyl]amino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-[[9-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,9-dioxononanoyl]amino]heptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
CID 159606624

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]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione?
The IUPAC name of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione (CID 158129508) is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione.
What is the SMILES notation for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione?
The canonical SMILES for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione is C.CC1C(OCCCC(=O)CCCCCCCNC(=O)OCCCC(C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC(=O)CCOCCOCCSSCCCC(=O)CCCCC(=O)N1C[C@@H](OC)C[C@@H]1COC.COC[C@H]1C[C@H](OC)CN1C(=O)CCCCC(=O)CCC(C)(C)SSCCC(=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]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione?
The InChIKey is FSPDFAJAJQVMGI-YWPNBSLVSA-N. The full InChI is InChI=1S/C89H158N4O29S2.C87H154N4O29S2.C68H123N3O24.C25H45NO7S2.CH4/c1-62-78(105)81(108)70(58-94)120-84(62)116-48-25-33-66(97)31-17-11-8-16-24-47-92-87(111)119-53-30-43-89(56-68(99)40-54-123-124-88(4,5)44-39-67(98)32-20-21-36-75(102)93-57-69(113-7)55-65(93)61-112-6,41-28-51-114-76(103)37-18-12-9-14-22-45-90-73(100)34-26-49-117-85-63(2)79(106)82(109)71(59-95)121-85)42-29-52-115-77(104)38-19-13-10-15-23-46-91-74(101)35-27-50-118-86-64(3)80(107)83(110)72(60-96)122-86;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;1-47-58(80)61(83)51(44-72)93-64(47)89-38-20-27-50(75)26-14-8-5-13-19-37-71-67(86)92-43-25-34-68(4,32-23-41-87-56(78)30-15-9-6-11-17-35-69-54(76)28-21-39-90-65-48(2)59(81)62(84)52(45-73)94-65)33-24-42-88-57(79)31-16-10-7-12-18-36-70-55(77)29-22-40-91-66-49(3)60(82)63(85)53(46-74)95-66;1-4-22(27)11-12-32-13-14-33-15-17-35-34-16-7-9-23(28)8-5-6-10-25(29)26-19-24(31-3)18-21(26)20-30-2;/h62-65,69-72,78-86,94-96,105-110H,8-61H2,1-7H3,(H,90,100)(H,91,101)(H,92,111);61-64,68-71,77-85,92-94,103-108H,6-60H2,1-5H3,(H,88,98)(H,89,99)(H,90,109);47-49,51-53,58-66,72-74,80-85H,5-46H2,1-4H3,(H,69,76)(H,70,77)(H,71,86);21,24H,4-20H2,1-3H3;1H4/t62?,63?,64?,65-,69+,70?,71?,72?,78?,79?,80?,81?,82?,83?,84?,85?,86?,89?;61?,62?,63?,64-,68+,69?,70?,71?,77?,78?,79?,80?,81?,82?,83?,84?,85?,87?;;21-,24+;/m11.1./s1.
What are the key properties of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione?
[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione has a molecular weight of 5515.24 g/mol, XLogP of 24.88, 221 rotatable bonds, 36 hydrogen bond donors, and 95 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]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 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-[[10-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;methane;1-[(2R,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-9-[2-[2-(3-oxopentoxy)ethoxy]ethyldisulfanyl]nonane-1,6-dione is sourced from PubChem (CID 158129508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).