[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate

C238H342F6N35O63P3 — CID 159496836

IUPAC[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
SMILESC.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)NCOP(=O)(O)OC)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)OCc4ccccc4)C(NC(C)=O)C(C)C3C)nn2)c1.CPPF
InChIInChI=1S/C103H140F5N15O27.C99H147N16O30P.C34H46N4O6.CH5FP2.CH4/c1-62-93(111-65(4)124)100(147-81(96(62)144-68(7)127)56-121-53-78(115-118-121)71-30-26-34-75(50-71)135-10)141-44-23-17-13-14-20-33-74(130)39-47-138-59-103(114-86(133)37-29-38-87(134)150-99-91(107)89(105)88(104)90(106)92(99)108,60-139-48-40-84(131)109-42-21-15-18-24-45-142-101-94(112-66(5)125)63(2)97(145-69(8)128)82(148-101)57-122-54-79(116-119-122)72-31-27-35-76(51-72)136-11)61-140-49-41-85(132)110-43-22-16-19-25-46-143-102-95(113-67(6)126)64(3)98(146-70(9)129)83(149-102)58-123-55-80(117-120-123)73-32-28-36-77(52-73)137-12;1-64-90(103-67(4)116)96(143-83(93(64)140-70(7)119)57-113-54-80(107-110-113)73-31-27-35-77(51-73)129-10)136-45-24-18-14-15-21-34-76(122)40-48-133-60-99(106-89(126)39-30-38-86(123)102-63-139-146(127,128)132-13,61-134-49-41-87(124)100-43-22-16-19-25-46-137-97-91(104-68(5)117)65(2)94(141-71(8)120)84(144-97)58-114-55-81(108-111-114)74-32-28-36-78(52-74)130-11)62-135-50-42-88(125)101-44-23-17-20-26-47-138-98-92(105-69(6)118)66(3)95(142-72(9)121)85(145-98)59-115-56-82(109-112-115)75-33-29-37-79(53-75)131-12;1-24-25(2)33(35-26(3)39)34(42-19-12-7-5-6-11-18-32(40)43-23-27-14-9-8-10-15-27)44-31(24)22-38-21-30(36-37-38)28-16-13-17-29(20-28)41-4;1-3-4-2;/h26-28,30-32,34-36,50-55,62-64,81-83,93-98,100-102H,13-25,29,33,37-49,56-61H2,1-12H3,(H,109,131)(H,110,132)(H,111,124)(H,112,125)(H,113,126)(H,114,133);27-29,31-33,35-37,51-56,64-66,83-85,90-98H,14-26,30,34,38-50,57-63H2,1-13H3,(H,100,124)(H,101,125)(H,102,123)(H,103,116)(H,104,117)(H,105,118)(H,106,126)(H,127,128);8-10,13-17,20-21,24-25,31,33-34H,5-7,11-12,18-19,22-23H2,1-4H3,(H,35,39);3-4H,1H3;1H4
InChIKeyLYWSYGWEHKGTKV-UHFFFAOYSA-N
MW4908.45 g/mol
LogP25.78
Rot. Bonds148

About [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate

[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate (PubChem CID 159496836) has the molecular formula C238H342F6N35O63P3 and a molecular weight of 4908.45 g/mol. Its IUPAC name is [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
PubChem CID159496836
Molecular FormulaC238H342F6N35O63P3
Molecular Weight4908.45 g/mol
Exact Mass4905.38
IUPAC Name[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
SMILESC.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)NCOP(=O)(O)OC)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)OCc4ccccc4)C(NC(C)=O)C(C)C3C)nn2)c1.CPPF
InChIInChI=1S/C103H140F5N15O27.C99H147N16O30P.C34H46N4O6.CH5FP2.CH4/c1-62-93(111-65(4)124)100(147-81(96(62)144-68(7)127)56-121-53-78(115-118-121)71-30-26-34-75(50-71)135-10)141-44-23-17-13-14-20-33-74(130)39-47-138-59-103(114-86(133)37-29-38-87(134)150-99-91(107)89(105)88(104)90(106)92(99)108,60-139-48-40-84(131)109-42-21-15-18-24-45-142-101-94(112-66(5)125)63(2)97(145-69(8)128)82(148-101)57-122-54-79(116-119-122)72-31-27-35-76(51-72)136-11)61-140-49-41-85(132)110-43-22-16-19-25-46-143-102-95(113-67(6)126)64(3)98(146-70(9)129)83(149-102)58-123-55-80(117-120-123)73-32-28-36-77(52-73)137-12;1-64-90(103-67(4)116)96(143-83(93(64)140-70(7)119)57-113-54-80(107-110-113)73-31-27-35-77(51-73)129-10)136-45-24-18-14-15-21-34-76(122)40-48-133-60-99(106-89(126)39-30-38-86(123)102-63-139-146(127,128)132-13,61-134-49-41-87(124)100-43-22-16-19-25-46-137-97-91(104-68(5)117)65(2)94(141-71(8)120)84(144-97)58-114-55-81(108-111-114)74-32-28-36-78(52-74)130-11)62-135-50-42-88(125)101-44-23-17-20-26-47-138-98-92(105-69(6)118)66(3)95(142-72(9)121)85(145-98)59-115-56-82(109-112-115)75-33-29-37-79(53-75)131-12;1-24-25(2)33(35-26(3)39)34(42-19-12-7-5-6-11-18-32(40)43-23-27-14-9-8-10-15-27)44-31(24)22-38-21-30(36-37-38)28-16-13-17-29(20-28)41-4;1-3-4-2;/h26-28,30-32,34-36,50-55,62-64,81-83,93-98,100-102H,13-25,29,33,37-49,56-61H2,1-12H3,(H,109,131)(H,110,132)(H,111,124)(H,112,125)(H,113,126)(H,114,133);27-29,31-33,35-37,51-56,64-66,83-85,90-98H,14-26,30,34,38-50,57-63H2,1-13H3,(H,100,124)(H,101,125)(H,102,123)(H,103,116)(H,104,117)(H,105,118)(H,106,126)(H,127,128);8-10,13-17,20-21,24-25,31,33-34H,5-7,11-12,18-19,22-23H2,1-4H3,(H,35,39);3-4H,1H3;1H4
InChIKeyLYWSYGWEHKGTKV-UHFFFAOYSA-N
XLogP25.78
TPSA1171.88 Ų
H-Bond Donors15
H-Bond Acceptors83
Rotatable Bonds148
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004908.45
LogP ≤ 525.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1083

Analyze [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate with MolForge

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 5-[[1,3-bis[3-[6-[3-acetamido-4,5-diacetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]oxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-4,5-diacetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]oxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 129151877
benzyl 8-[3-acetamido-4-hydroxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-5-methyloxan-2-yl]oxyoctanoate
CID 158382427
N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 159207434
5-[[1-[13-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[3-[5-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-3-[13-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]propan-2-yl]amino]-5-oxopentanoic acid;6-aminohexyl methyl hydrogen phosphate;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[13-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[3-[5-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-3-[13-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]propan-2-yl]amino]-5-oxopentanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
CID 158657031
benzyl 14,14-bis[(7-amino-3-oxoheptoxy)methyl]-15-[3-(3-aminopropylamino)-3-oxopropoxy]-12-oxopentadecanoate;benzyl 14,14-bis[[13-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3,4,5-trimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-15-[3-[[9-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3,4,5-trimethyloxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]-12-oxopentadecanoate;(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-3-ol;5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3,4,5-trimethyloxan-2-yl]oxypentanoic acid
CID 167704182
[4-acetamido-5-[16-[2-[[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]methyl]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-aminopropoxy]-14-oxohexadecoxy]-2,3-dimethylcyclohexyl]methyl acetate;benzyl 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;methane;5-oxo-5-phenylmethoxypentanoic acid;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 158254880
[(2S,4R)-1-[14,14-bis[[13-[4,5-dihydroxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-15-[3-[[9-[4,5-dihydroxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-methyloxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]-12-oxopentadecanoyl]-4-hydroxypyrrolidin-2-yl]methyl methyl phosphate
CID 147597355
(2,3,4,5,6-pentafluorophenyl) 5-[2-[[1,3-bis[3-[6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoate
CID 161203897
(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]heptylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 159579838
benzyl 5-[4-[4,6-bis[[3-[3-[[5-[[1-[3-[[9-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoyl]amino]propylamino]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-5-oxopentanoate
CID 167550715
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
benzyl 5-[[1-[10-[2-acetamido-4-acetyloxy-5-(acetyloxymethyl)-3-methylcyclohexyl]sulfanyl-3-oxodecoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanylhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanyl-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 157118156

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate?
The IUPAC name of [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate (CID 159496836) is [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate.
What is the SMILES notation for [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate?
The canonical SMILES for [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate is C.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)NCOP(=O)(O)OC)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)CCOCC(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)(COCCC(=O)NCCCCCCOC4OC(Cn5cc(-c6cccc(OC)c6)nn5)C(OC(C)=O)C(C)C4NC(C)=O)NC(=O)CCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)C(NC(C)=O)C(C)C3OC(C)=O)nn2)c1.COc1cccc(-c2cn(CC3OC(OCCCCCCCC(=O)OCc4ccccc4)C(NC(C)=O)C(C)C3C)nn2)c1.CPPF.
What is the InChIKey of [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate?
The InChIKey is LYWSYGWEHKGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H140F5N15O27.C99H147N16O30P.C34H46N4O6.CH5FP2.CH4/c1-62-93(111-65(4)124)100(147-81(96(62)144-68(7)127)56-121-53-78(115-118-121)71-30-26-34-75(50-71)135-10)141-44-23-17-13-14-20-33-74(130)39-47-138-59-103(114-86(133)37-29-38-87(134)150-99-91(107)89(105)88(104)90(106)92(99)108,60-139-48-40-84(131)109-42-21-15-18-24-45-142-101-94(112-66(5)125)63(2)97(145-69(8)128)82(148-101)57-122-54-79(116-119-122)72-31-27-35-76(51-72)136-11)61-140-49-41-85(132)110-43-22-16-19-25-46-143-102-95(113-67(6)126)64(3)98(146-70(9)129)83(149-102)58-123-55-80(117-120-123)73-32-28-36-77(52-73)137-12;1-64-90(103-67(4)116)96(143-83(93(64)140-70(7)119)57-113-54-80(107-110-113)73-31-27-35-77(51-73)129-10)136-45-24-18-14-15-21-34-76(122)40-48-133-60-99(106-89(126)39-30-38-86(123)102-63-139-146(127,128)132-13,61-134-49-41-87(124)100-43-22-16-19-25-46-137-97-91(104-68(5)117)65(2)94(141-71(8)120)84(144-97)58-114-55-81(108-111-114)74-32-28-36-78(52-74)130-11)62-135-50-42-88(125)101-44-23-17-20-26-47-138-98-92(105-69(6)118)66(3)95(142-72(9)121)85(145-98)59-115-56-82(109-112-115)75-33-29-37-79(53-75)131-12;1-24-25(2)33(35-26(3)39)34(42-19-12-7-5-6-11-18-32(40)43-23-27-14-9-8-10-15-27)44-31(24)22-38-21-30(36-37-38)28-16-13-17-29(20-28)41-4;1-3-4-2;/h26-28,30-32,34-36,50-55,62-64,81-83,93-98,100-102H,13-25,29,33,37-49,56-61H2,1-12H3,(H,109,131)(H,110,132)(H,111,124)(H,112,125)(H,113,126)(H,114,133);27-29,31-33,35-37,51-56,64-66,83-85,90-98H,14-26,30,34,38-50,57-63H2,1-13H3,(H,100,124)(H,101,125)(H,102,123)(H,103,116)(H,104,117)(H,105,118)(H,106,126)(H,127,128);8-10,13-17,20-21,24-25,31,33-34H,5-7,11-12,18-19,22-23H2,1-4H3,(H,35,39);3-4H,1H3;1H4.
What are the key properties of [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate?
[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate has a molecular weight of 4908.45 g/mol, XLogP of 25.78, 148 rotatable bonds, 15 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 159496836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).