[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylamino)carbamoyloxy]-6-methyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylamino)carbamoyloxy]-6-methyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylamino)carbamoyloxy]-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylhydrazo)-oxomethoxy]-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylamino)carbamoyloxy]-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropyloximino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(hexylamino)carbamoyloxy]-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C55H100N4O15 MolecularWeight: 1057.4003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNNC(=O)OC1C(CC(OC1OC2C(C(C(C(=O)OC(C(C(C(C(=NOCCCC3CCCCC3)C(CC2(C)O)C)C)O)(C)O)CC)C)OC4CC(C(C(O4)C)OC(=O)C)(C)OC)C)C)N(C)C

Isomeric SMILES

CCCCCCNNC(=O)O[C@@H]1[C@H](C[C@H](O[C@H]1O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@H]([C@@]([C@@H]([C@@H](/C(=N/OCCCC3CCCCC3)/[C@@H](CC2(C)O)C)C)O)(C)O)CC)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)C)(C)OC)C)C)N(C)C

InChI

InChI=1S/C55H100N4O15/c1-16-18-19-23-28-56-57-52(63)73-46-41(59(13)14)30-34(4)68-51(46)74-48-36(6)45(72-43-32-54(11,66-15)49(38(8)69-43)70-39(9)60)37(7)50(62)71-42(17-2)55(12,65)47(61)35(5)44(33(3)31-53(48,10)64)58-67-29-24-27-40-25-21-20-22-26-40/h33-38,40-43,45-49,51,56,61,64-65H,16-32H2,1-15H3,(H,57,63)/b58-44+/t33-,34-,35-,36+,37-,38+,41+,42+,43+,45+,46-,47-,48-,49+,51+,53?,54-,55-/m1/s1