methyl (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxydocosanoyl]amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-oxan-2-yl]methoxy]-4-methoxy-5-[2-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxyethanoylamino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxydocosanoyl]amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-oxan-2-yl]methoxy]-4-methoxy-5-[2-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxyethanoylamino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxydocosanoyl]amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-tetrahydropyran-2-yl]methoxy]-4-methoxy-5-[[2-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxyacetyl]amino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxy-1-oxodocosyl]amino]-14-methylhexadecoxy]-3,4,5-trimethoxy-2-oxanyl]methoxy]-4-methoxy-5-[[1-oxo-2-[[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyl-2-oxanyl]oxy]ethyl]amino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxydocosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trimethoxyoxan-2-yl]methoxy]-4-methoxy-5-[[2-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyacetyl]amino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxydocosanoyl]amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-tetrahydropyran-2-yl]methoxy]-4-methoxy-5-[[2-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxyacetyl]amino]-6-[(1R,2S)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C76H144N2O23 MolecularWeight: 1453.95616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(COC)OC)OC)NC(=O)COC3C(C(C(C(O3)C)OC)OC)OC)OC)C(=O)OC)OC)OC)OC)C(C(CCCCCCCCCC(C)CC)OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@H]([C@H](COC)OC)OC)NC(=O)CO[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)OC)OC)OC)OC)C(=O)OC)OC)OC)OC)[C@@H]([C@@H](CCCCCCCCCC(C)CC)OC)OC)OC

InChI

InChI=1S/C76H144N2O23/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-41-44-47-57(84-7)72(80)77-55(64(88-11)56(83-6)46-43-40-38-35-36-39-42-45-53(3)20-2)49-96-74-71(94-17)69(92-15)66(90-13)60(100-74)51-98-76(75(81)95-18)48-58(85-8)62(67(101-76)65(89-12)59(86-9)50-82-5)78-61(79)52-97-73-70(93-16)68(91-14)63(87-10)54(4)99-73/h53-60,62-71,73-74H,19-52H2,1-18H3,(H,77,80)(H,78,79)/t53?,54-,55-,56+,57+,58-,59-,60+,62+,63+,64-,65-,66+,67+,68+,69-,70-,71+,73+,74+,76+/m0/s1