[(3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-(hydroxymethyl)-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-oxan-3-yl] 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate

Systemtic Name: [(3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-(hydroxymethyl)-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-oxan-3-yl] 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate Openeye Name: [(3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]tetrahydropyran-3-yl] 2-[2-(2,6-dichloroanilino)phenyl]acetate CAS Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid [(3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-oxanyl] ester IUPAC Name: [(3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]oxan-3-yl] 2-[2-(2,6-dichloroanilino)phenyl]acetate Traditional Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid [(3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,12,14-heptamethyl-2-methylol-1-oxa-6-azacyclopentadec-11-yl]oxy]tetrahydropyran-3-yl] ester Formula: C51H79Cl2N3O14 MolecularWeight: 1029.09066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(N(CC(CC2(C)O)C)C)C)O)(C)O)CO)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC(=O)CC4=CC=CC=C4NC5=C(C=CC=C5Cl)Cl)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]2(C)O)C)C)C)O)(C)O)CO)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)OC(=O)CC4=CC=CC=C4NC5=C(C=CC=C5Cl)Cl)N(C)C

InChI

InChI=1S/C51H79Cl2N3O14/c1-27-23-49(7,62)46(70-48-43(37(55(10)11)21-28(2)65-48)68-39(58)22-33-17-14-15-20-36(33)54-41-34(52)18-16-19-35(41)53)29(3)42(69-40-24-50(8,64-13)45(60)32(6)66-40)30(4)47(61)67-38(26-57)51(9,63)44(59)31(5)56(12)25-27/h14-20,27-32,37-38,40,42-46,48,54,57,59-60,62-63H,21-26H2,1-13H3/t27-,28-,29+,30-,31-,32+,37+,38-,40+,42+,43-,44-,45+,46-,48?,49-,50-,51-/m1/s1