[(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)-6-methyl-3-[[methyl-(phenylmethyl)amino]carbamoyloxy]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)-6-methyl-3-[[methyl-(phenylmethyl)amino]carbamoyloxy]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)-6-[(2S,3R,4S,6R)-3-[[benzyl(methyl)amino]carbamoyloxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-10-(3-cyclohexylpropoxyimino)-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)-6-methyl-3-[[2-methyl-2-(phenylmethyl)hydrazinyl]-oxomethoxy]-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)-6-[(2S,3R,4S,6R)-3-[[benzyl(methyl)amino]carbamoyloxy]-4-(dimethylamino)-6-methyloxan-2-yl]oxy-10-(3-cyclohexylpropoxyimino)-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)-6-[(2S,3R,4S,6R)-3-[[benzyl(methyl)amino]carbamoyloxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-10-(3-cyclohexylpropyloximino)-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: C57H96N4O15 MolecularWeight: 1077.38994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCCCC2CCCCC2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)NN(C)CC5=CC=CC=C5)(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OCCCC2CCCCC2)/[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)NN(C)CC5=CC=CC=C5)(C)O)C)C)O)(C)O

InChI

InChI=1S/C57H96N4O15/c1-16-44-57(11,67)49(63)36(4)46(59-69-29-23-28-41-24-19-17-20-25-41)34(2)31-55(9,66)50(37(5)47(38(6)52(64)73-44)74-45-32-56(10,68-15)51(39(7)71-45)72-40(8)62)76-53-48(43(60(12)13)30-35(3)70-53)75-54(65)58-61(14)33-42-26-21-18-22-27-42/h18,21-22,26-27,34-39,41,43-45,47-51,53,63,66-67H,16-17,19-20,23-25,28-33H2,1-15H3,(H,58,65)/b59-46+/t34-,35-,36-,37+,38-,39+,43+,44+,45+,47+,48-,49-,50-,51+,53+,55?,56-,57-/m1/s1