[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane

C274H340N36O70 — CID 158342351

IUPAC[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane
SMILESC.C.C.C.C.C.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NCCC)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NC(C)C)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(=O)OCCOC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/2C59H68N8O15.C33H40N4O11.C30H36N4O8.C29H34N4O7.C29H36N4O7.C29H34N4O7.6CH4/c1-7-58(76,53(71)62-34(3)4)42-29-46-49-38(27-36-15-9-11-17-44(36)64-49)31-66(46)51(69)40(42)19-20-48(68)78-23-13-21-60-55(73)79-25-26-80-56(74)61-22-14-24-81-57(75)82-33-41-43(59(77,8-2)54(72)63-35(5)6)30-47-50-39(32-67(47)52(41)70)28-37-16-10-12-18-45(37)65-50;1-5-21-60-53(71)58(76,7-3)42-31-46-49-38(29-36-15-9-11-17-44(36)64-49)33-66(46)51(69)40(42)19-20-48(68)78-25-13-23-62-55(73)79-27-28-80-56(74)63-24-14-26-81-57(75)82-35-41-43(59(77,8-4)54(72)61-22-6-2)32-47-50-39(34-67(47)52(41)70)30-37-16-10-12-18-45(37)65-50;1-4-33(43,31(41)34-9-11-44-13-14-45-12-10-35-32(42)47-16-15-46-21(2)38)26-18-28-29-24(17-23-7-5-6-8-27(23)36-29)19-37(28)30(40)25(26)20-48-22(3)39;1-4-30(39,29(38)32-10-12-41-14-13-40-11-9-31-19(2)35)24-16-26-27-22(15-21-7-5-6-8-25(21)33-27)17-34(26)28(37)23(24)18-42-20(3)36;1-5-29(38,27(36)31-17(2)3)22-14-24-25-20(13-19-9-6-7-10-23(19)32-25)15-33(24)26(35)21(22)16-40-28(37)39-12-8-11-30-18(4)34;1-4-29(37,28(36)31-10-12-39-14-13-38-11-9-30-3)23-16-25-26-21(15-20-7-5-6-8-24(20)32-26)17-33(25)27(35)22(23)18-40-19(2)34;1-4-11-31-27(36)29(38,5-2)22-15-24-25-20(14-19-9-6-7-10-23(19)32-25)16-33(24)26(35)21(22)17-40-28(37)39-13-8-12-30-18(3)34;;;;;;/h9-12,15-18,27-30,34-35,76-77H,7-8,13-14,19-26,31-33H2,1-6H3,(H,60,73)(H,61,74)(H,62,71)(H,63,72);9-12,15-18,29-32,76-77H,5-8,13-14,19-28,33-35H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74);5-8,17-18,43H,4,9-16,19-20H2,1-3H3,(H,34,41)(H,35,42);5-8,15-16,39H,4,9-14,17-18H2,1-3H3,(H,31,35)(H,32,38);6-7,9-10,13-14,17,38H,5,8,11-12,15-16H2,1-4H3,(H,30,34)(H,31,36);5-8,15-16,30,37H,4,9-14,17-18H2,1-3H3,(H,31,36);6-7,9-10,14-15,38H,4-5,8,11-13,16-17H2,1-3H3,(H,30,34)(H,31,36);6*1H4/t2*58-,59-;33-;30-;3*29-;;;;;;/m0000000....../s1
InChIKeyGRHSZRSGFMGTSF-PACFSOBNSA-N
MW5257.92 g/mol
LogP24.57
Rot. Bonds116

About [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane

[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane (PubChem CID 158342351) has the molecular formula C274H340N36O70 and a molecular weight of 5257.92 g/mol. Its IUPAC name is [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane.

Molecular Properties

Compound Name[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane
PubChem CID158342351
Molecular FormulaC274H340N36O70
Molecular Weight5257.92 g/mol
Exact Mass5254.42
IUPAC Name[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane
SMILESC.C.C.C.C.C.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NCCC)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NC(C)C)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(=O)OCCOC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/2C59H68N8O15.C33H40N4O11.C30H36N4O8.C29H34N4O7.C29H36N4O7.C29H34N4O7.6CH4/c1-7-58(76,53(71)62-34(3)4)42-29-46-49-38(27-36-15-9-11-17-44(36)64-49)31-66(46)51(69)40(42)19-20-48(68)78-23-13-21-60-55(73)79-25-26-80-56(74)61-22-14-24-81-57(75)82-33-41-43(59(77,8-2)54(72)63-35(5)6)30-47-50-39(32-67(47)52(41)70)28-37-16-10-12-18-45(37)65-50;1-5-21-60-53(71)58(76,7-3)42-31-46-49-38(29-36-15-9-11-17-44(36)64-49)33-66(46)51(69)40(42)19-20-48(68)78-25-13-23-62-55(73)79-27-28-80-56(74)63-24-14-26-81-57(75)82-35-41-43(59(77,8-4)54(72)61-22-6-2)32-47-50-39(34-67(47)52(41)70)30-37-16-10-12-18-45(37)65-50;1-4-33(43,31(41)34-9-11-44-13-14-45-12-10-35-32(42)47-16-15-46-21(2)38)26-18-28-29-24(17-23-7-5-6-8-27(23)36-29)19-37(28)30(40)25(26)20-48-22(3)39;1-4-30(39,29(38)32-10-12-41-14-13-40-11-9-31-19(2)35)24-16-26-27-22(15-21-7-5-6-8-25(21)33-27)17-34(26)28(37)23(24)18-42-20(3)36;1-5-29(38,27(36)31-17(2)3)22-14-24-25-20(13-19-9-6-7-10-23(19)32-25)15-33(24)26(35)21(22)16-40-28(37)39-12-8-11-30-18(4)34;1-4-29(37,28(36)31-10-12-39-14-13-38-11-9-30-3)23-16-25-26-21(15-20-7-5-6-8-24(20)32-26)17-33(25)27(35)22(23)18-40-19(2)34;1-4-11-31-27(36)29(38,5-2)22-15-24-25-20(14-19-9-6-7-10-23(19)32-25)16-33(24)26(35)21(22)17-40-28(37)39-13-8-12-30-18(3)34;;;;;;/h9-12,15-18,27-30,34-35,76-77H,7-8,13-14,19-26,31-33H2,1-6H3,(H,60,73)(H,61,74)(H,62,71)(H,63,72);9-12,15-18,29-32,76-77H,5-8,13-14,19-28,33-35H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74);5-8,17-18,43H,4,9-16,19-20H2,1-3H3,(H,34,41)(H,35,42);5-8,15-16,39H,4,9-14,17-18H2,1-3H3,(H,31,35)(H,32,38);6-7,9-10,13-14,17,38H,5,8,11-12,15-16H2,1-4H3,(H,30,34)(H,31,36);5-8,15-16,30,37H,4,9-14,17-18H2,1-3H3,(H,31,36);6-7,9-10,14-15,38H,4-5,8,11-13,16-17H2,1-3H3,(H,30,34)(H,31,36);6*1H4/t2*58-,59-;33-;30-;3*29-;;;;;;/m0000000....../s1
InChIKeyGRHSZRSGFMGTSF-PACFSOBNSA-N
XLogP24.57
TPSA1404.26 Ų
H-Bond Donors27
H-Bond Acceptors89
Rotatable Bonds116
Heavy Atoms380
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005257.92
LogP ≤ 524.57
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1089

Analyze [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane with MolForge

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Related Compounds

(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 71479730
(2R)-2-[[(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoyl]amino]propanoic acid
CID 46180589
[7-[(2R)-1-cyano-2-hydroxybutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;ethane
CID 142026327
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160
[7-[2-[[3-[[(5S)-5-[[(2R)-2-acetamido-3-[2-[[8-(butanoyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]oxycarbonyloxy]ethyldisulfanyl]propanoyl]amino]-6-amino-6-oxohexyl]amino]-3-oxopropyl]disulfanyl]ethoxycarbonyloxy]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl butanoate
CID 170017516
disodium;2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate
CID 53463210
[7-[(2S)-1-[2-(dimethylamino)ethylamino]-2-hydroxy-1-oxobutan-2-yl]-12-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl 3-chlorobenzoate
CID 11758326
ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;methylsulfanylmethane
CID 163385164
[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 69412201
1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate
CID 46208769
1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate
CID 159940794
tert-butyl 3-[2-[2-[2-[2-[6-[[(19R)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl]oxycarbonylamino]hexylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 58599013

Frequently Asked Questions

What is the IUPAC name of [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane?
The IUPAC name of [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane (CID 158342351) is [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane.
What is the SMILES notation for [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane?
The canonical SMILES for [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane is C.C.C.C.C.C.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NCCC)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CCCNC(=O)[C@](O)(CC)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1CCC(=O)OCCCNC(=O)OCCOC(=O)NCCCOC(=O)OCc1c([C@@](O)(CC)C(=O)NC(C)C)cc3n(c1=O)Cc1cc4ccccc4nc1-3)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1COC(=O)OCCCNC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(=O)OCCOC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC(C)=O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.CC[C@@](O)(C(=O)NCCOCCOCCNC)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.
What is the InChIKey of [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane?
The InChIKey is GRHSZRSGFMGTSF-PACFSOBNSA-N. The full InChI is InChI=1S/2C59H68N8O15.C33H40N4O11.C30H36N4O8.C29H34N4O7.C29H36N4O7.C29H34N4O7.6CH4/c1-7-58(76,53(71)62-34(3)4)42-29-46-49-38(27-36-15-9-11-17-44(36)64-49)31-66(46)51(69)40(42)19-20-48(68)78-23-13-21-60-55(73)79-25-26-80-56(74)61-22-14-24-81-57(75)82-33-41-43(59(77,8-2)54(72)63-35(5)6)30-47-50-39(32-67(47)52(41)70)28-37-16-10-12-18-45(37)65-50;1-5-21-60-53(71)58(76,7-3)42-31-46-49-38(29-36-15-9-11-17-44(36)64-49)33-66(46)51(69)40(42)19-20-48(68)78-25-13-23-62-55(73)79-27-28-80-56(74)63-24-14-26-81-57(75)82-35-41-43(59(77,8-4)54(72)61-22-6-2)32-47-50-39(34-67(47)52(41)70)30-37-16-10-12-18-45(37)65-50;1-4-33(43,31(41)34-9-11-44-13-14-45-12-10-35-32(42)47-16-15-46-21(2)38)26-18-28-29-24(17-23-7-5-6-8-27(23)36-29)19-37(28)30(40)25(26)20-48-22(3)39;1-4-30(39,29(38)32-10-12-41-14-13-40-11-9-31-19(2)35)24-16-26-27-22(15-21-7-5-6-8-25(21)33-27)17-34(26)28(37)23(24)18-42-20(3)36;1-5-29(38,27(36)31-17(2)3)22-14-24-25-20(13-19-9-6-7-10-23(19)32-25)15-33(24)26(35)21(22)16-40-28(37)39-12-8-11-30-18(4)34;1-4-29(37,28(36)31-10-12-39-14-13-38-11-9-30-3)23-16-25-26-21(15-20-7-5-6-8-24(20)32-26)17-33(25)27(35)22(23)18-40-19(2)34;1-4-11-31-27(36)29(38,5-2)22-15-24-25-20(14-19-9-6-7-10-23(19)32-25)16-33(24)26(35)21(22)17-40-28(37)39-13-8-12-30-18(3)34;;;;;;/h9-12,15-18,27-30,34-35,76-77H,7-8,13-14,19-26,31-33H2,1-6H3,(H,60,73)(H,61,74)(H,62,71)(H,63,72);9-12,15-18,29-32,76-77H,5-8,13-14,19-28,33-35H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74);5-8,17-18,43H,4,9-16,19-20H2,1-3H3,(H,34,41)(H,35,42);5-8,15-16,39H,4,9-14,17-18H2,1-3H3,(H,31,35)(H,32,38);6-7,9-10,13-14,17,38H,5,8,11-12,15-16H2,1-4H3,(H,30,34)(H,31,36);5-8,15-16,30,37H,4,9-14,17-18H2,1-3H3,(H,31,36);6-7,9-10,14-15,38H,4-5,8,11-13,16-17H2,1-3H3,(H,30,34)(H,31,36);6*1H4/t2*58-,59-;33-;30-;3*29-;;;;;;/m0000000....../s1.
What are the key properties of [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane?
[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane has a molecular weight of 5257.92 g/mol, XLogP of 24.57, 116 rotatable bonds, 27 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane is sourced from PubChem (CID 158342351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).