[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-3-(butylaminocarbamoyloxy)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-10-(3-cyclohexylpropoxyimino)-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)-6-[(2S,3R,4S,6R)-3-(butylaminocarbamoyloxy)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-10-(3-cyclohexylpropoxyimino)-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-(butylaminocarbamoyloxy)-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)-6-[[(2S,3R,4S,6R)-3-[(butylhydrazo)-oxomethoxy]-4-(dimethylamino)-6-methyl-2-oxanyl]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-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-(butylaminocarbamoyloxy)-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-(butylaminocarbamoyloxy)-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: C53H96N4O15 MolecularWeight: 1029.34714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNNC(=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

CCCCNNC(=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/C53H96N4O15/c1-16-18-26-54-55-50(61)71-44-39(57(13)14)28-32(4)66-49(44)72-46-34(6)43(70-41-30-52(11,64-15)47(36(8)67-41)68-37(9)58)35(7)48(60)69-40(17-2)53(12,63)45(59)33(5)42(31(3)29-51(46,10)62)56-65-27-22-25-38-23-20-19-21-24-38/h31-36,38-41,43-47,49,54,59,62-63H,16-30H2,1-15H3,(H,55,61)/b56-42+/t31-,32-,33-,34+,35-,36+,39+,40+,41+,43+,44-,45-,46-,47+,49+,51?,52-,53-/m1/s1