[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate

C242H402N14O67 — CID 159424101

IUPAC[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate
SMILESCCCC(=O)NCCOCCOCCCC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)CCCOCCOCCN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCNCC=O)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)CC(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)Cc2ccccc2)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C36H54N2O9.C34H58N2O8.C33H56N2O9.C32H54N2O9.C29H48N2O9.C28H47NO8.C26H44N2O8.C24H41NO7/c1-26(2)12-13-30-35(3,47-30)34-33(42-4)29(14-16-36(34)25-45-36)46-32(41)11-8-19-43-21-22-44-20-18-38-31(40)15-17-37-28(24-39)23-27-9-6-5-7-10-27;1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6;1-23(2)9-10-27-32(5,44-27)31-30(39-6)26(11-13-33(31)22-42-33)43-29(38)8-7-16-40-18-19-41-17-15-35-28(37)12-14-34-25(21-36)20-24(3)4;1-22(2)9-10-26-31(5,43-26)30-29(38-6)25(11-13-32(30)21-41-32)42-28(37)8-7-16-39-18-19-40-17-15-34-27(36)12-14-33-24(20-35)23(3)4;1-21(2)7-8-23-28(3,40-23)27-26(35-4)22(9-11-29(27)20-38-29)39-25(34)6-5-16-36-18-19-37-17-14-31-24(33)10-12-30-13-15-32;1-6-8-23(30)29-14-16-34-18-17-33-15-7-9-24(31)36-21-12-13-28(19-35-28)26(25(21)32-5)27(4)22(37-27)11-10-20(2)3;1-18(2)7-8-20-25(3,36-20)24-23(31-4)19(9-10-26(24)17-34-26)35-22(30)6-5-12-32-14-15-33-13-11-28-21(29)16-27;1-17(2)7-8-19-23(3,32-19)22-21(27-4)18(9-10-24(22)16-30-24)31-20(26)6-5-12-28-14-15-29-13-11-25/h5-7,9-10,12,24,28-30,33-34,37H,8,11,13-23,25H2,1-4H3,(H,38,40);14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39);9,21,24-27,30-31,34H,7-8,10-20,22H2,1-6H3,(H,35,37);9,20,23-26,29-30,33H,7-8,10-19,21H2,1-6H3,(H,34,36);7,15,22-23,26-27,30H,5-6,8-14,16-20H2,1-4H3,(H,31,33);10,21-22,25-26H,6-9,11-19H2,1-5H3,(H,29,30);7,19-20,23-24H,5-6,8-17,27H2,1-4H3,(H,28,29);7,18-19,21-22H,5-6,8-16,25H2,1-4H3/t28-,29?,30+,33?,34?,35?,36-;25-,27?,28+,30?,31?,33?,34-;25-,26?,27+,30?,31?,32?,33-;24-,25?,26-,29?,30?,31?,32+;22?,23-,26?,27?,28?,29+;21?,22-,25?,26?,27?,28+;19?,20-,23?,24?,25?,26+;18?,19-,21?,22?,23?,24+/m00011111/s1
InChIKeyLQCZERBSWGGPFX-FZPLVQLWSA-N
MW4579.91 g/mol
LogP23.24
Rot. Bonds152

About [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate

[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate (PubChem CID 159424101) has the molecular formula C242H402N14O67 and a molecular weight of 4579.91 g/mol. Its IUPAC name is [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Name[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate
PubChem CID159424101
Molecular FormulaC242H402N14O67
Molecular Weight4579.91 g/mol
Exact Mass4576.85
IUPAC Name[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate
SMILESCCCC(=O)NCCOCCOCCCC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)CCCOCCOCCN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCNCC=O)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)CC(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)Cc2ccccc2)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C36H54N2O9.C34H58N2O8.C33H56N2O9.C32H54N2O9.C29H48N2O9.C28H47NO8.C26H44N2O8.C24H41NO7/c1-26(2)12-13-30-35(3,47-30)34-33(42-4)29(14-16-36(34)25-45-36)46-32(41)11-8-19-43-21-22-44-20-18-38-31(40)15-17-37-28(24-39)23-27-9-6-5-7-10-27;1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6;1-23(2)9-10-27-32(5,44-27)31-30(39-6)26(11-13-33(31)22-42-33)43-29(38)8-7-16-40-18-19-41-17-15-35-28(37)12-14-34-25(21-36)20-24(3)4;1-22(2)9-10-26-31(5,43-26)30-29(38-6)25(11-13-32(30)21-41-32)42-28(37)8-7-16-39-18-19-40-17-15-34-27(36)12-14-33-24(20-35)23(3)4;1-21(2)7-8-23-28(3,40-23)27-26(35-4)22(9-11-29(27)20-38-29)39-25(34)6-5-16-36-18-19-37-17-14-31-24(33)10-12-30-13-15-32;1-6-8-23(30)29-14-16-34-18-17-33-15-7-9-24(31)36-21-12-13-28(19-35-28)26(25(21)32-5)27(4)22(37-27)11-10-20(2)3;1-18(2)7-8-20-25(3,36-20)24-23(31-4)19(9-10-26(24)17-34-26)35-22(30)6-5-12-32-14-15-33-13-11-28-21(29)16-27;1-17(2)7-8-19-23(3,32-19)22-21(27-4)18(9-10-24(22)16-30-24)31-20(26)6-5-12-28-14-15-29-13-11-25/h5-7,9-10,12,24,28-30,33-34,37H,8,11,13-23,25H2,1-4H3,(H,38,40);14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39);9,21,24-27,30-31,34H,7-8,10-20,22H2,1-6H3,(H,35,37);9,20,23-26,29-30,33H,7-8,10-19,21H2,1-6H3,(H,34,36);7,15,22-23,26-27,30H,5-6,8-14,16-20H2,1-4H3,(H,31,33);10,21-22,25-26H,6-9,11-19H2,1-5H3,(H,29,30);7,19-20,23-24H,5-6,8-17,27H2,1-4H3,(H,28,29);7,18-19,21-22H,5-6,8-16,25H2,1-4H3/t28-,29?,30+,33?,34?,35?,36-;25-,27?,28+,30?,31?,33?,34-;25-,26?,27+,30?,31?,32?,33-;24-,25?,26-,29?,30?,31?,32+;22?,23-,26?,27?,28?,29+;21?,22-,25?,26?,27?,28+;19?,20-,23?,24?,25?,26+;18?,19-,21?,22?,23?,24+/m00011111/s1
InChIKeyLQCZERBSWGGPFX-FZPLVQLWSA-N
XLogP23.24
TPSA1024.41 Ų
H-Bond Donors14
H-Bond Acceptors74
Rotatable Bonds152
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004579.91
LogP ≤ 523.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1074

Analyze [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate?
The IUPAC name of [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate (CID 159424101) is [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate.
What is the SMILES notation for [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate?
The canonical SMILES for [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate is CCCC(=O)NCCOCCOCCCC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)CCCOCCOCCN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCNCC=O)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)CC(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CCN[C@H](C=O)Cc2ccccc2)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)CCCOCCOCCNC(=O)CN)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.
What is the InChIKey of [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate?
The InChIKey is LQCZERBSWGGPFX-FZPLVQLWSA-N. The full InChI is InChI=1S/C36H54N2O9.C34H58N2O8.C33H56N2O9.C32H54N2O9.C29H48N2O9.C28H47NO8.C26H44N2O8.C24H41NO7/c1-26(2)12-13-30-35(3,47-30)34-33(42-4)29(14-16-36(34)25-45-36)46-32(41)11-8-19-43-21-22-44-20-18-38-31(40)15-17-37-28(24-39)23-27-9-6-5-7-10-27;1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6;1-23(2)9-10-27-32(5,44-27)31-30(39-6)26(11-13-33(31)22-42-33)43-29(38)8-7-16-40-18-19-41-17-15-35-28(37)12-14-34-25(21-36)20-24(3)4;1-22(2)9-10-26-31(5,43-26)30-29(38-6)25(11-13-32(30)21-41-32)42-28(37)8-7-16-39-18-19-40-17-15-34-27(36)12-14-33-24(20-35)23(3)4;1-21(2)7-8-23-28(3,40-23)27-26(35-4)22(9-11-29(27)20-38-29)39-25(34)6-5-16-36-18-19-37-17-14-31-24(33)10-12-30-13-15-32;1-6-8-23(30)29-14-16-34-18-17-33-15-7-9-24(31)36-21-12-13-28(19-35-28)26(25(21)32-5)27(4)22(37-27)11-10-20(2)3;1-18(2)7-8-20-25(3,36-20)24-23(31-4)19(9-10-26(24)17-34-26)35-22(30)6-5-12-32-14-15-33-13-11-28-21(29)16-27;1-17(2)7-8-19-23(3,32-19)22-21(27-4)18(9-10-24(22)16-30-24)31-20(26)6-5-12-28-14-15-29-13-11-25/h5-7,9-10,12,24,28-30,33-34,37H,8,11,13-23,25H2,1-4H3,(H,38,40);14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39);9,21,24-27,30-31,34H,7-8,10-20,22H2,1-6H3,(H,35,37);9,20,23-26,29-30,33H,7-8,10-19,21H2,1-6H3,(H,34,36);7,15,22-23,26-27,30H,5-6,8-14,16-20H2,1-4H3,(H,31,33);10,21-22,25-26H,6-9,11-19H2,1-5H3,(H,29,30);7,19-20,23-24H,5-6,8-17,27H2,1-4H3,(H,28,29);7,18-19,21-22H,5-6,8-16,25H2,1-4H3/t28-,29?,30+,33?,34?,35?,36-;25-,27?,28+,30?,31?,33?,34-;25-,26?,27+,30?,31?,32?,33-;24-,25?,26-,29?,30?,31?,32+;22?,23-,26?,27?,28?,29+;21?,22-,25?,26?,27?,28+;19?,20-,23?,24?,25?,26+;18?,19-,21?,22?,23?,24+/m00011111/s1.
What are the key properties of [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate?
[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate has a molecular weight of 4579.91 g/mol, XLogP of 23.24, 152 rotatable bonds, 14 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate is sourced from PubChem (CID 159424101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).