5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate

C197H333N19O61 — CID 157052520

IUPAC5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate
SMILESCC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](C)[C@@H]1OC(C)=O.CC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](O)[C@@H]1O.CCCCNC(=O)CCOCC(COCCC(=O)NCCCC)(COCCC(=O)NCCCC)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1.C[C@H]1[C@H]2OC[C@](COCCCCC(=O)CCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)NC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)(O2)[C@H](O)[C@@H]1O.NCCCNC(=O)CCOCC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C81H134N6O27.C44H76N4O9.C41H73N7O9.C17H27NO8.C14H23NO8/c1-57-69(96)72(99)79(54-109-75(57)112-79)51-102-41-20-16-28-61(88)27-15-19-36-82-64(91)33-44-105-48-78(87-67(94)31-13-8-6-4-5-7-9-14-32-68(95)108-47-60-25-11-10-12-26-60,49-106-45-34-65(92)85-39-23-37-83-62(89)29-17-21-42-103-52-80-55-110-76(113-80)58(2)70(97)73(80)100)50-107-46-35-66(93)86-40-24-38-84-63(90)30-18-22-43-104-53-81-56-111-77(114-81)59(3)71(98)74(81)101;1-4-7-28-45-39(49)25-31-54-35-44(36-55-32-26-40(50)46-29-8-5-2,37-56-33-27-41(51)47-30-9-6-3)48-42(52)23-19-14-12-10-11-13-15-20-24-43(53)57-34-38-21-17-16-18-22-38;42-22-12-25-45-36(49)19-28-54-32-41(33-55-29-20-37(50)46-26-13-23-43,34-56-30-21-38(51)47-27-14-24-44)48-39(52)17-10-5-3-1-2-4-6-11-18-40(53)57-31-35-15-8-7-9-16-35;1-10-15(25-12(3)20)14(18-11(2)19)16-24-9-17(10,26-16)8-23-7-5-4-6-13(21)22;1-8(16)15-10-11(19)12(20)14(7-22-13(10)23-14)6-21-5-3-2-4-9(17)18/h10-12,25-26,57-59,69-77,96-101H,4-9,13-24,27-56H2,1-3H3,(H,82,91)(H,83,89)(H,84,90)(H,85,92)(H,86,93)(H,87,94);16-18,21-22H,4-15,19-20,23-37H2,1-3H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52);7-9,15-16H,1-6,10-14,17-34,42-44H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52);10,14-16H,4-9H2,1-3H3,(H,18,19)(H,21,22);10-13,19-20H,2-7H2,1H3,(H,15,16)(H,17,18)/t57-,58-,59-,69-,70-,71-,72-,73-,74-,75+,76+,77+,79+,80+,81+;;;10-,14?,15+,16+,17+;10?,11-,12-,13+,14+/m1..11/s1
InChIKeyAAJJMKFUGDZIFY-MUZZUCTKSA-N
MW3943.90 g/mol
LogP10.44
Rot. Bonds156

About 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate

5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate (PubChem CID 157052520) has the molecular formula C197H333N19O61 and a molecular weight of 3943.90 g/mol. Its IUPAC name is 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate.

Molecular Properties

Compound Name5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate
PubChem CID157052520
Molecular FormulaC197H333N19O61
Molecular Weight3943.90 g/mol
Exact Mass3941.35
IUPAC Name5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate
SMILESCC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](C)[C@@H]1OC(C)=O.CC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](O)[C@@H]1O.CCCCNC(=O)CCOCC(COCCC(=O)NCCCC)(COCCC(=O)NCCCC)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1.C[C@H]1[C@H]2OC[C@](COCCCCC(=O)CCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)NC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)(O2)[C@H](O)[C@@H]1O.NCCCNC(=O)CCOCC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C81H134N6O27.C44H76N4O9.C41H73N7O9.C17H27NO8.C14H23NO8/c1-57-69(96)72(99)79(54-109-75(57)112-79)51-102-41-20-16-28-61(88)27-15-19-36-82-64(91)33-44-105-48-78(87-67(94)31-13-8-6-4-5-7-9-14-32-68(95)108-47-60-25-11-10-12-26-60,49-106-45-34-65(92)85-39-23-37-83-62(89)29-17-21-42-103-52-80-55-110-76(113-80)58(2)70(97)73(80)100)50-107-46-35-66(93)86-40-24-38-84-63(90)30-18-22-43-104-53-81-56-111-77(114-81)59(3)71(98)74(81)101;1-4-7-28-45-39(49)25-31-54-35-44(36-55-32-26-40(50)46-29-8-5-2,37-56-33-27-41(51)47-30-9-6-3)48-42(52)23-19-14-12-10-11-13-15-20-24-43(53)57-34-38-21-17-16-18-22-38;42-22-12-25-45-36(49)19-28-54-32-41(33-55-29-20-37(50)46-26-13-23-43,34-56-30-21-38(51)47-27-14-24-44)48-39(52)17-10-5-3-1-2-4-6-11-18-40(53)57-31-35-15-8-7-9-16-35;1-10-15(25-12(3)20)14(18-11(2)19)16-24-9-17(10,26-16)8-23-7-5-4-6-13(21)22;1-8(16)15-10-11(19)12(20)14(7-22-13(10)23-14)6-21-5-3-2-4-9(17)18/h10-12,25-26,57-59,69-77,96-101H,4-9,13-24,27-56H2,1-3H3,(H,82,91)(H,83,89)(H,84,90)(H,85,92)(H,86,93)(H,87,94);16-18,21-22H,4-15,19-20,23-37H2,1-3H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52);7-9,15-16H,1-6,10-14,17-34,42-44H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52);10,14-16H,4-9H2,1-3H3,(H,18,19)(H,21,22);10-13,19-20H,2-7H2,1H3,(H,15,16)(H,17,18)/t57-,58-,59-,69-,70-,71-,72-,73-,74-,75+,76+,77+,79+,80+,81+;;;10-,14?,15+,16+,17+;10?,11-,12-,13+,14+/m1..11/s1
InChIKeyAAJJMKFUGDZIFY-MUZZUCTKSA-N
XLogP10.44
TPSA1123.89 Ų
H-Bond Donors29
H-Bond Acceptors62
Rotatable Bonds156
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003943.90
LogP ≤ 510.44
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1062

Analyze 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate with MolForge

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Related Compounds

benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoic acid
CID 161410986
benzyl N-[6-[[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]propan-2-yl]amino]-6-oxohexyl]carbamate
CID 118520801
benzyl 12-[[1-[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]-3-[3-(3-aminopropylamino)propoxy]propan-2-yl]amino]-12-oxododecanoate
CID 146199225
[(1S,2R,3R,4R,5S)-4-acetamido-1-[2-[2-[2-[2-[4-[[3-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-2-(6-aminohexanoylamino)propoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 118510873
benzyl 5-[[1,3-bis[3-(3-acetamidopropylamino)-3-oxopropoxy]-2-[[3-(3-acetamidopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 168888452
[6-[[6-[[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]propan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamic acid
CID 118510988
benzyl 5-[[1-[10-[2-acetamido-4-acetyloxy-5-(acetyloxymethyl)-3-methylcyclohexyl]sulfanyl-3-oxodecoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanylhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanyl-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 157118156
2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]acetic acid;3-amino-N-[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]propan-2-yl]propanamide;3-amino-N-[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propan-2-yl]propanamide;3-amino-N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]propanamide;N-[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]propan-2-yl]-6-(pyridin-2-yldisulfanyl)hexanamide
CID 158599933
[4-acetamido-5-[16-[2-[[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]methyl]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-aminopropoxy]-14-oxohexadecoxy]-2,3-dimethylcyclohexyl]methyl acetate;benzyl 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;methane;5-oxo-5-phenylmethoxypentanoic acid;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 158254880
N-[(1S,2R,3R,4R,5S)-1-(butoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 118510871
N-[1,3-bis[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]propan-2-yl]-6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanamide
CID 118510861
benzyl 5-[[1-[[9-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-5-oxononyl]amino]-7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-5-oxopentanoate
CID 157293188

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate?
The IUPAC name of 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate (CID 157052520) is 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate.
What is the SMILES notation for 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate?
The canonical SMILES for 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate is CC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](C)[C@@H]1OC(C)=O.CC(=O)NC1[C@H]2OC[C@](COCCCCC(=O)O)(O2)[C@H](O)[C@@H]1O.CCCCNC(=O)CCOCC(COCCC(=O)NCCCC)(COCCC(=O)NCCCC)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1.C[C@H]1[C@H]2OC[C@](COCCCCC(=O)CCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)(COCCC(=O)NCCCNC(=O)CCCCOC[C@@]34CO[C@@H](O3)[C@H](C)[C@@H](O)[C@H]4O)NC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)(O2)[C@H](O)[C@@H]1O.NCCCNC(=O)CCOCC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1.
What is the InChIKey of 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate?
The InChIKey is AAJJMKFUGDZIFY-MUZZUCTKSA-N. The full InChI is InChI=1S/C81H134N6O27.C44H76N4O9.C41H73N7O9.C17H27NO8.C14H23NO8/c1-57-69(96)72(99)79(54-109-75(57)112-79)51-102-41-20-16-28-61(88)27-15-19-36-82-64(91)33-44-105-48-78(87-67(94)31-13-8-6-4-5-7-9-14-32-68(95)108-47-60-25-11-10-12-26-60,49-106-45-34-65(92)85-39-23-37-83-62(89)29-17-21-42-103-52-80-55-110-76(113-80)58(2)70(97)73(80)100)50-107-46-35-66(93)86-40-24-38-84-63(90)30-18-22-43-104-53-81-56-111-77(114-81)59(3)71(98)74(81)101;1-4-7-28-45-39(49)25-31-54-35-44(36-55-32-26-40(50)46-29-8-5-2,37-56-33-27-41(51)47-30-9-6-3)48-42(52)23-19-14-12-10-11-13-15-20-24-43(53)57-34-38-21-17-16-18-22-38;42-22-12-25-45-36(49)19-28-54-32-41(33-55-29-20-37(50)46-26-13-23-43,34-56-30-21-38(51)47-27-14-24-44)48-39(52)17-10-5-3-1-2-4-6-11-18-40(53)57-31-35-15-8-7-9-16-35;1-10-15(25-12(3)20)14(18-11(2)19)16-24-9-17(10,26-16)8-23-7-5-4-6-13(21)22;1-8(16)15-10-11(19)12(20)14(7-22-13(10)23-14)6-21-5-3-2-4-9(17)18/h10-12,25-26,57-59,69-77,96-101H,4-9,13-24,27-56H2,1-3H3,(H,82,91)(H,83,89)(H,84,90)(H,85,92)(H,86,93)(H,87,94);16-18,21-22H,4-15,19-20,23-37H2,1-3H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52);7-9,15-16H,1-6,10-14,17-34,42-44H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52);10,14-16H,4-9H2,1-3H3,(H,18,19)(H,21,22);10-13,19-20H,2-7H2,1H3,(H,15,16)(H,17,18)/t57-,58-,59-,69-,70-,71-,72-,73-,74-,75+,76+,77+,79+,80+,81+;;;10-,14?,15+,16+,17+;10?,11-,12-,13+,14+/m1..11/s1.
What are the key properties of 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate?
5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate has a molecular weight of 3943.90 g/mol, XLogP of 10.44, 156 rotatable bonds, 29 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate is sourced from PubChem (CID 157052520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).