[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate

C278H394F16N24O112 — CID 163955198

IUPAC[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
SMILESCC.CC(=O)NC1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)C(F)(F)F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)O)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.O=C(O)CCCCCCCCCCC(=O)OCc1ccccc1.O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C69H100N6O28.C68H93F5N6O28.C62H94N6O28.C50H73F3N6O22.C19H28O4.C8F8O2.C2H6/c1-43(76)73-60-64(100-49(7)82)62(98-47(5)80)55(41-95-45(3)78)102-68(60)93-34-32-91-30-28-89-26-24-70-66(87)52-36-53(38-54(37-52)75-58(85)39-72-57(84)22-18-13-11-9-10-12-14-19-23-59(86)97-40-51-20-16-15-17-21-51)67(88)71-25-27-90-29-31-92-33-35-94-69-61(74-44(2)77)65(101-50(8)83)63(99-48(6)81)56(103-69)42-96-46(4)79;1-37(80)77-58-63(103-43(7)86)60(101-41(5)84)48(35-99-39(3)82)105-67(58)97-29-27-95-25-23-93-21-19-74-65(91)45-31-46(33-47(32-45)79-51(89)34-76-50(88)17-15-13-11-9-10-12-14-16-18-52(90)107-62-56(72)54(70)53(69)55(71)57(62)73)66(92)75-20-22-94-24-26-96-28-30-98-68-59(78-38(2)81)64(104-44(8)87)61(102-42(6)85)49(106-68)36-100-40(4)83;1-37(69)66-53-57(93-43(7)75)55(91-41(5)73)48(35-89-39(3)71)95-61(53)87-29-27-85-25-23-83-21-19-63-59(81)45-31-46(33-47(32-45)68-51(78)34-65-50(77)17-15-13-11-9-10-12-14-16-18-52(79)80)60(82)64-20-22-84-24-26-86-28-30-88-62-54(67-38(2)70)58(94-44(8)76)56(92-42(6)74)49(96-62)36-90-40(4)72;1-27-28(2)41(57-29(3)60)47(80-38(27)25-76-31(5)62)74-19-17-72-15-13-70-11-9-54-45(67)35-21-36(23-37(22-35)59-40(66)24-56-49(69)50(51,52)53)46(68)55-10-12-71-14-16-73-18-20-75-48-42(58-30(4)61)44(79-34(8)65)43(78-33(7)64)39(81-48)26-77-32(6)63;20-18(21)14-10-5-3-1-2-4-6-11-15-19(22)23-16-17-12-8-7-9-13-17;9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16;1-2/h15-17,20-21,36-38,55-56,60-65,68-69H,9-14,18-19,22-35,39-42H2,1-8H3,(H,70,87)(H,71,88)(H,72,84)(H,73,76)(H,74,77)(H,75,85);31-33,48-49,58-61,63-64,67-68H,9-30,34-36H2,1-8H3,(H,74,91)(H,75,92)(H,76,88)(H,77,80)(H,78,81)(H,79,89);31-33,48-49,53-58,61-62H,9-30,34-36H2,1-8H3,(H,63,81)(H,64,82)(H,65,77)(H,66,69)(H,67,70)(H,68,78)(H,79,80);21-23,27-28,38-39,41-44,47-48H,9-20,24-26H2,1-8H3,(H,54,67)(H,55,68)(H,56,69)(H,57,60)(H,58,61)(H,59,66);7-9,12-13H,1-6,10-11,14-16H2,(H,20,21);;1-2H3/t55-,56-,60-,61?,62+,63+,64-,65-,68?,69?;48-,49-,58-,59-,60+,61+,63-,64-,67?,68?;48-,49-,53-,54-,55+,56+,57-,58-,61?,62?;27-,28+,38-,39-,41-,42-,43+,44-,47?,48?;;;/m1111.../s1
InChIKeyCFMYGIAMSHSZHG-NVSVOBSJSA-N
MW6168.23 g/mol
LogP13.85
Rot. Bonds188

About [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate

[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate (PubChem CID 163955198) has the molecular formula C278H394F16N24O112 and a molecular weight of 6168.23 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
PubChem CID163955198
Molecular FormulaC278H394F16N24O112
Molecular Weight6168.23 g/mol
Exact Mass6164.56
IUPAC Name[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
SMILESCC.CC(=O)NC1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)C(F)(F)F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)O)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.O=C(O)CCCCCCCCCCC(=O)OCc1ccccc1.O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C69H100N6O28.C68H93F5N6O28.C62H94N6O28.C50H73F3N6O22.C19H28O4.C8F8O2.C2H6/c1-43(76)73-60-64(100-49(7)82)62(98-47(5)80)55(41-95-45(3)78)102-68(60)93-34-32-91-30-28-89-26-24-70-66(87)52-36-53(38-54(37-52)75-58(85)39-72-57(84)22-18-13-11-9-10-12-14-19-23-59(86)97-40-51-20-16-15-17-21-51)67(88)71-25-27-90-29-31-92-33-35-94-69-61(74-44(2)77)65(101-50(8)83)63(99-48(6)81)56(103-69)42-96-46(4)79;1-37(80)77-58-63(103-43(7)86)60(101-41(5)84)48(35-99-39(3)82)105-67(58)97-29-27-95-25-23-93-21-19-74-65(91)45-31-46(33-47(32-45)79-51(89)34-76-50(88)17-15-13-11-9-10-12-14-16-18-52(90)107-62-56(72)54(70)53(69)55(71)57(62)73)66(92)75-20-22-94-24-26-96-28-30-98-68-59(78-38(2)81)64(104-44(8)87)61(102-42(6)85)49(106-68)36-100-40(4)83;1-37(69)66-53-57(93-43(7)75)55(91-41(5)73)48(35-89-39(3)71)95-61(53)87-29-27-85-25-23-83-21-19-63-59(81)45-31-46(33-47(32-45)68-51(78)34-65-50(77)17-15-13-11-9-10-12-14-16-18-52(79)80)60(82)64-20-22-84-24-26-86-28-30-88-62-54(67-38(2)70)58(94-44(8)76)56(92-42(6)74)49(96-62)36-90-40(4)72;1-27-28(2)41(57-29(3)60)47(80-38(27)25-76-31(5)62)74-19-17-72-15-13-70-11-9-54-45(67)35-21-36(23-37(22-35)59-40(66)24-56-49(69)50(51,52)53)46(68)55-10-12-71-14-16-73-18-20-75-48-42(58-30(4)61)44(79-34(8)65)43(78-33(7)64)39(81-48)26-77-32(6)63;20-18(21)14-10-5-3-1-2-4-6-11-15-19(22)23-16-17-12-8-7-9-13-17;9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16;1-2/h15-17,20-21,36-38,55-56,60-65,68-69H,9-14,18-19,22-35,39-42H2,1-8H3,(H,70,87)(H,71,88)(H,72,84)(H,73,76)(H,74,77)(H,75,85);31-33,48-49,58-61,63-64,67-68H,9-30,34-36H2,1-8H3,(H,74,91)(H,75,92)(H,76,88)(H,77,80)(H,78,81)(H,79,89);31-33,48-49,53-58,61-62H,9-30,34-36H2,1-8H3,(H,63,81)(H,64,82)(H,65,77)(H,66,69)(H,67,70)(H,68,78)(H,79,80);21-23,27-28,38-39,41-44,47-48H,9-20,24-26H2,1-8H3,(H,54,67)(H,55,68)(H,56,69)(H,57,60)(H,58,61)(H,59,66);7-9,12-13H,1-6,10-11,14-16H2,(H,20,21);;1-2H3/t55-,56-,60-,61?,62+,63+,64-,65-,68?,69?;48-,49-,58-,59-,60+,61+,63-,64-,67?,68?;48-,49-,53-,54-,55+,56+,57-,58-,61?,62?;27-,28+,38-,39-,41-,42-,43+,44-,47?,48?;;;/m1111.../s1
InChIKeyCFMYGIAMSHSZHG-NVSVOBSJSA-N
XLogP13.85
TPSA1752.16 Ų
H-Bond Donors26
H-Bond Acceptors110
Rotatable Bonds188
Heavy Atoms430
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006168.23
LogP ≤ 513.85
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 10110

Analyze [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate with MolForge

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Related Compounds

benzyl 12-[[2-[3-[2-[2-[2-[(3S,4S,5S,6S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate
CID 157021150
benzyl 25-[3-[4-[2-[2-[(3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]butanoyl]-5-[2-[2-[2-[(3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-14,25-dioxopentacosanoate
CID 163449926
[(3R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-(2-benzamidoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 155573509
benzyl 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetate;methane
CID 157364947
benzyl 12-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-6-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]oxan-2-yl]amino]-12-oxododecanoate
CID 172518185
benzyl 4-[[1,3-bis[3-[2-[2-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoate
CID 157074054
12-[3-[4-[2-[2-[(3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]butanoyl]-5-[2-[2-[2-[(3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-12-oxododecanoic acid
CID 163482405
[(3R,4R,6R)-5-acetamido-3-acetyloxy-4-methyl-6-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 58069896
(2,3,4,5,6-pentafluorophenyl) 6-[[5-[[3-[3-[3-[5-[(2R,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2,2-bis[[3-[3-[5-[(2R,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propyl]amino]-5-oxopentanoyl]amino]hexanoate
CID 174116516
[5-acetamido-3,4-diacetyloxy-6-[2-[2-(6-aminohexanoylamino)ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 139428139
4-[[3-[[10-[[1-[2-[2-[2-[2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-7-(2-ethoxyethylamino)-4-[3-(2-ethoxyethylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-10-oxodecanoyl]amino]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]methoxy]-4-oxobutanoate
CID 162711164
12-[2-[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]ethylamino]-12-oxododecanoic acid
CID 137353193

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate?
The IUPAC name of [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate (CID 163955198) is [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate is CC.CC(=O)NC1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)OCc3ccccc3)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)C(F)(F)F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)O)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)N[C@H]1C(OCCOCCOCCNC(=O)c2cc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)NCCOCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.O=C(O)CCCCCCCCCCC(=O)OCc1ccccc1.O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate?
The InChIKey is CFMYGIAMSHSZHG-NVSVOBSJSA-N. The full InChI is InChI=1S/C69H100N6O28.C68H93F5N6O28.C62H94N6O28.C50H73F3N6O22.C19H28O4.C8F8O2.C2H6/c1-43(76)73-60-64(100-49(7)82)62(98-47(5)80)55(41-95-45(3)78)102-68(60)93-34-32-91-30-28-89-26-24-70-66(87)52-36-53(38-54(37-52)75-58(85)39-72-57(84)22-18-13-11-9-10-12-14-19-23-59(86)97-40-51-20-16-15-17-21-51)67(88)71-25-27-90-29-31-92-33-35-94-69-61(74-44(2)77)65(101-50(8)83)63(99-48(6)81)56(103-69)42-96-46(4)79;1-37(80)77-58-63(103-43(7)86)60(101-41(5)84)48(35-99-39(3)82)105-67(58)97-29-27-95-25-23-93-21-19-74-65(91)45-31-46(33-47(32-45)79-51(89)34-76-50(88)17-15-13-11-9-10-12-14-16-18-52(90)107-62-56(72)54(70)53(69)55(71)57(62)73)66(92)75-20-22-94-24-26-96-28-30-98-68-59(78-38(2)81)64(104-44(8)87)61(102-42(6)85)49(106-68)36-100-40(4)83;1-37(69)66-53-57(93-43(7)75)55(91-41(5)73)48(35-89-39(3)71)95-61(53)87-29-27-85-25-23-83-21-19-63-59(81)45-31-46(33-47(32-45)68-51(78)34-65-50(77)17-15-13-11-9-10-12-14-16-18-52(79)80)60(82)64-20-22-84-24-26-86-28-30-88-62-54(67-38(2)70)58(94-44(8)76)56(92-42(6)74)49(96-62)36-90-40(4)72;1-27-28(2)41(57-29(3)60)47(80-38(27)25-76-31(5)62)74-19-17-72-15-13-70-11-9-54-45(67)35-21-36(23-37(22-35)59-40(66)24-56-49(69)50(51,52)53)46(68)55-10-12-71-14-16-73-18-20-75-48-42(58-30(4)61)44(79-34(8)65)43(78-33(7)64)39(81-48)26-77-32(6)63;20-18(21)14-10-5-3-1-2-4-6-11-15-19(22)23-16-17-12-8-7-9-13-17;9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16;1-2/h15-17,20-21,36-38,55-56,60-65,68-69H,9-14,18-19,22-35,39-42H2,1-8H3,(H,70,87)(H,71,88)(H,72,84)(H,73,76)(H,74,77)(H,75,85);31-33,48-49,58-61,63-64,67-68H,9-30,34-36H2,1-8H3,(H,74,91)(H,75,92)(H,76,88)(H,77,80)(H,78,81)(H,79,89);31-33,48-49,53-58,61-62H,9-30,34-36H2,1-8H3,(H,63,81)(H,64,82)(H,65,77)(H,66,69)(H,67,70)(H,68,78)(H,79,80);21-23,27-28,38-39,41-44,47-48H,9-20,24-26H2,1-8H3,(H,54,67)(H,55,68)(H,56,69)(H,57,60)(H,58,61)(H,59,66);7-9,12-13H,1-6,10-11,14-16H2,(H,20,21);;1-2H3/t55-,56-,60-,61?,62+,63+,64-,65-,68?,69?;48-,49-,58-,59-,60+,61+,63-,64-,67?,68?;48-,49-,53-,54-,55+,56+,57-,58-,61?,62?;27-,28+,38-,39-,41-,42-,43+,44-,47?,48?;;;/m1111.../s1.
What are the key properties of [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate?
[(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate has a molecular weight of 6168.23 g/mol, XLogP of 13.85, 188 rotatable bonds, 26 hydrogen bond donors, and 110 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-5-acetamido-6-[2-[2-[2-[[3-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]-5-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate;benzyl 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoic acid;ethane;12-oxo-12-phenylmethoxydodecanoic acid;(2,3,4,5,6-pentafluorophenyl) 12-[[2-[3,5-bis[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]amino]-12-oxododecanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 163955198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).