(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate

C259H346F15N11O75 — CID 158614602

IUPAC(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate
SMILESCC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCOCCOCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C
InChIInChI=1S/C41H52F5NO10.C40H58N2O14.C39H56N2O12.C39H56N2O11.C34H40F5NO9.C34H40F5NO8.C32H44N2O11/c1-22(12-15-30-23(2)18-29(25(4)55-30)47-32(50)17-14-24(3)54-26(5)48)13-16-31-40(52)41(21-53-41)20-28(56-31)19-27(49)10-8-6-7-9-11-33(51)57-39-37(45)35(43)34(42)36(44)38(39)46;1-25(8-11-33-26(2)21-32(28(4)54-33)41-35(45)13-10-27(3)53-29(5)43)9-12-34-39(49)40(24-52-40)23-31(55-34)22-30(44)7-6-17-50-19-20-51-18-16-38(48)56-42-36(46)14-15-37(42)47;1-24(12-15-32-25(2)20-31(27(4)51-32)40-34(44)17-14-26(3)50-28(5)42)13-16-33-38(48)39(23-49-39)22-30(52-33)21-29(43)10-8-6-7-9-11-37(47)53-41-35(45)18-19-36(41)46;1-25(13-16-34-26(2)20-33(28(4)50-34)40-35(44)17-14-27(3)49-29(5)42)12-15-31-22-39(24-48-39)23-32(51-31)21-30(43)10-8-6-7-9-11-38(47)52-41-36(45)18-19-37(41)46;1-16(6-9-23-17(2)12-22(19(4)47-23)40-25(42)11-8-18(3)46-20(5)41)7-10-24-33(44)34(15-45-34)14-21(48-24)13-26(43)49-32-30(38)28(36)27(35)29(37)31(32)39;1-17(7-10-25-18(2)12-24(20(4)46-25)40-26(42)11-8-19(3)45-21(5)41)6-9-22-14-34(16-44-34)15-23(47-22)13-27(43)48-33-31(38)29(36)28(35)30(37)32(33)39;1-18(6-9-25-19(2)14-24(21(4)43-25)33-27(36)11-8-20(3)42-22(5)35)7-10-26-31(40)32(17-41-32)16-23(44-26)15-30(39)45-34-28(37)12-13-29(34)38/h12-14,16-17,23-25,28-31,40,52H,6-11,15,18-21H2,1-5H3,(H,47,50);8-10,12-13,26-28,31-34,39,49H,6-7,11,14-24H2,1-5H3,(H,41,45);12-14,16-17,25-27,30-33,38,48H,6-11,15,18-23H2,1-5H3,(H,40,44);12-15,17,26-28,31-34H,6-11,16,18-24H2,1-5H3,(H,40,44);6-8,10-11,17-19,21-24,33,44H,9,12-15H2,1-5H3,(H,40,42);6-9,11,18-20,22-25H,10,12-16H2,1-5H3,(H,40,42);6-8,10-11,19-21,23-26,31,40H,9,12-17H2,1-5H3,(H,33,36)/b16-13+,17-14-,22-12+;12-9+,13-10-,25-8+;16-13+,17-14-,24-12+;15-12+,17-14-,25-13+;10-7+,11-8-,16-6+;9-6+,11-8-,17-7+;10-7+,11-8-,18-6+/t23-,24-,25+,28+,29+,30-,31+,40+,41+;26-,27-,28+,31+,32+,33-,34+,39+,40+;25-,26-,27+,30+,31+,32-,33+,38+,39+;26-,27-,28+,31+,32+,33+,34-,39+;17-,18-,19+,21+,22+,23-,24+,33+,34+;18-,19-,20+,22+,23+,24+,25-,34+;19-,20-,21+,23+,24+,25-,26+,31+,32+/m0000000/s1
InChIKeyHXFVOADLTGFXLR-NPOJBAGISA-N
MW5098.59 g/mol
LogP30.43
Rot. Bonds108

About (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate

(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate (PubChem CID 158614602) has the molecular formula C259H346F15N11O75 and a molecular weight of 5098.59 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate
PubChem CID158614602
Molecular FormulaC259H346F15N11O75
Molecular Weight5098.59 g/mol
Exact Mass5095.34
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate
SMILESCC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCOCCOCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C
InChIInChI=1S/C41H52F5NO10.C40H58N2O14.C39H56N2O12.C39H56N2O11.C34H40F5NO9.C34H40F5NO8.C32H44N2O11/c1-22(12-15-30-23(2)18-29(25(4)55-30)47-32(50)17-14-24(3)54-26(5)48)13-16-31-40(52)41(21-53-41)20-28(56-31)19-27(49)10-8-6-7-9-11-33(51)57-39-37(45)35(43)34(42)36(44)38(39)46;1-25(8-11-33-26(2)21-32(28(4)54-33)41-35(45)13-10-27(3)53-29(5)43)9-12-34-39(49)40(24-52-40)23-31(55-34)22-30(44)7-6-17-50-19-20-51-18-16-38(48)56-42-36(46)14-15-37(42)47;1-24(12-15-32-25(2)20-31(27(4)51-32)40-34(44)17-14-26(3)50-28(5)42)13-16-33-38(48)39(23-49-39)22-30(52-33)21-29(43)10-8-6-7-9-11-37(47)53-41-35(45)18-19-36(41)46;1-25(13-16-34-26(2)20-33(28(4)50-34)40-35(44)17-14-27(3)49-29(5)42)12-15-31-22-39(24-48-39)23-32(51-31)21-30(43)10-8-6-7-9-11-38(47)52-41-36(45)18-19-37(41)46;1-16(6-9-23-17(2)12-22(19(4)47-23)40-25(42)11-8-18(3)46-20(5)41)7-10-24-33(44)34(15-45-34)14-21(48-24)13-26(43)49-32-30(38)28(36)27(35)29(37)31(32)39;1-17(7-10-25-18(2)12-24(20(4)46-25)40-26(42)11-8-19(3)45-21(5)41)6-9-22-14-34(16-44-34)15-23(47-22)13-27(43)48-33-31(38)29(36)28(35)30(37)32(33)39;1-18(6-9-25-19(2)14-24(21(4)43-25)33-27(36)11-8-20(3)42-22(5)35)7-10-26-31(40)32(17-41-32)16-23(44-26)15-30(39)45-34-28(37)12-13-29(34)38/h12-14,16-17,23-25,28-31,40,52H,6-11,15,18-21H2,1-5H3,(H,47,50);8-10,12-13,26-28,31-34,39,49H,6-7,11,14-24H2,1-5H3,(H,41,45);12-14,16-17,25-27,30-33,38,48H,6-11,15,18-23H2,1-5H3,(H,40,44);12-15,17,26-28,31-34H,6-11,16,18-24H2,1-5H3,(H,40,44);6-8,10-11,17-19,21-24,33,44H,9,12-15H2,1-5H3,(H,40,42);6-9,11,18-20,22-25H,10,12-16H2,1-5H3,(H,40,42);6-8,10-11,19-21,23-26,31,40H,9,12-17H2,1-5H3,(H,33,36)/b16-13+,17-14-,22-12+;12-9+,13-10-,25-8+;16-13+,17-14-,24-12+;15-12+,17-14-,25-13+;10-7+,11-8-,16-6+;9-6+,11-8-,17-7+;10-7+,11-8-,18-6+/t23-,24-,25+,28+,29+,30-,31+,40+,41+;26-,27-,28+,31+,32+,33-,34+,39+,40+;25-,26-,27+,30+,31+,32-,33+,38+,39+;26-,27-,28+,31+,32+,33+,34-,39+;17-,18-,19+,21+,22+,23-,24+,33+,34+;18-,19-,20+,22+,23+,24+,25-,34+;19-,20-,21+,23+,24+,25-,26+,31+,32+/m0000000/s1
InChIKeyHXFVOADLTGFXLR-NPOJBAGISA-N
XLogP30.43
TPSA1126.24 Ų
H-Bond Donors12
H-Bond Acceptors75
Rotatable Bonds108
Heavy Atoms360
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005098.59
LogP ≤ 530.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1075

Analyze (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate (CID 158614602) is (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate is CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)O2)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)CCCOCCOCCC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate?
The InChIKey is HXFVOADLTGFXLR-NPOJBAGISA-N. The full InChI is InChI=1S/C41H52F5NO10.C40H58N2O14.C39H56N2O12.C39H56N2O11.C34H40F5NO9.C34H40F5NO8.C32H44N2O11/c1-22(12-15-30-23(2)18-29(25(4)55-30)47-32(50)17-14-24(3)54-26(5)48)13-16-31-40(52)41(21-53-41)20-28(56-31)19-27(49)10-8-6-7-9-11-33(51)57-39-37(45)35(43)34(42)36(44)38(39)46;1-25(8-11-33-26(2)21-32(28(4)54-33)41-35(45)13-10-27(3)53-29(5)43)9-12-34-39(49)40(24-52-40)23-31(55-34)22-30(44)7-6-17-50-19-20-51-18-16-38(48)56-42-36(46)14-15-37(42)47;1-24(12-15-32-25(2)20-31(27(4)51-32)40-34(44)17-14-26(3)50-28(5)42)13-16-33-38(48)39(23-49-39)22-30(52-33)21-29(43)10-8-6-7-9-11-37(47)53-41-35(45)18-19-36(41)46;1-25(13-16-34-26(2)20-33(28(4)50-34)40-35(44)17-14-27(3)49-29(5)42)12-15-31-22-39(24-48-39)23-32(51-31)21-30(43)10-8-6-7-9-11-38(47)52-41-36(45)18-19-37(41)46;1-16(6-9-23-17(2)12-22(19(4)47-23)40-25(42)11-8-18(3)46-20(5)41)7-10-24-33(44)34(15-45-34)14-21(48-24)13-26(43)49-32-30(38)28(36)27(35)29(37)31(32)39;1-17(7-10-25-18(2)12-24(20(4)46-25)40-26(42)11-8-19(3)45-21(5)41)6-9-22-14-34(16-44-34)15-23(47-22)13-27(43)48-33-31(38)29(36)28(35)30(37)32(33)39;1-18(6-9-25-19(2)14-24(21(4)43-25)33-27(36)11-8-20(3)42-22(5)35)7-10-26-31(40)32(17-41-32)16-23(44-26)15-30(39)45-34-28(37)12-13-29(34)38/h12-14,16-17,23-25,28-31,40,52H,6-11,15,18-21H2,1-5H3,(H,47,50);8-10,12-13,26-28,31-34,39,49H,6-7,11,14-24H2,1-5H3,(H,41,45);12-14,16-17,25-27,30-33,38,48H,6-11,15,18-23H2,1-5H3,(H,40,44);12-15,17,26-28,31-34H,6-11,16,18-24H2,1-5H3,(H,40,44);6-8,10-11,17-19,21-24,33,44H,9,12-15H2,1-5H3,(H,40,42);6-9,11,18-20,22-25H,10,12-16H2,1-5H3,(H,40,42);6-8,10-11,19-21,23-26,31,40H,9,12-17H2,1-5H3,(H,33,36)/b16-13+,17-14-,22-12+;12-9+,13-10-,25-8+;16-13+,17-14-,24-12+;15-12+,17-14-,25-13+;10-7+,11-8-,16-6+;9-6+,11-8-,17-7+;10-7+,11-8-,18-6+/t23-,24-,25+,28+,29+,30-,31+,40+,41+;26-,27-,28+,31+,32+,33-,34+,39+,40+;25-,26-,27+,30+,31+,32-,33+,38+,39+;26-,27-,28+,31+,32+,33+,34-,39+;17-,18-,19+,21+,22+,23-,24+,33+,34+;18-,19-,20+,22+,23+,24+,25-,34+;19-,20-,21+,23+,24+,25-,26+,31+,32+/m0000000/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate?
(2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate has a molecular weight of 5098.59 g/mol, XLogP of 30.43, 108 rotatable bonds, 12 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 9-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[5-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-4-oxopentoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(2,3,4,5,6-pentafluorophenyl) 9-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-8-oxononanoate is sourced from PubChem (CID 158614602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).