[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7,15-bis(oxidanylidene)-1-oxa-6-azacyclopentadec-13-yl] 3-[2-hydroxyethyl(methyl)amino]propanoate

Systemtic Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7,15-bis(oxidanylidene)-1-oxa-6-azacyclopentadec-13-yl] 3-[2-hydroxyethyl(methyl)amino]propanoate Openeye Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-[2-hydroxyethyl(methyl)amino]propanoate CAS Name: 3-[2-hydroxyethyl(methyl)amino]propanoic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] ester IUPAC Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-[2-hydroxyethyl(methyl)amino]propanoate Traditional Name: 3-[2-hydroxyethyl(methyl)amino]propionic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-7,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-13-yl] ester Formula: C36H67N3O12 MolecularWeight: 733.93008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(NC(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CCN(C)CCO)C)OC2C(C(CC(O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)CCO)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C36H67N3O12/c1-13-26-36(8,46)30(43)24(6)37-32(44)20(2)19-35(7,47-12)31(51-34-28(42)25(38(9)10)18-21(3)48-34)22(4)29(23(5)33(45)49-26)50-27(41)14-15-39(11)16-17-40/h20-26,28-31,34,40,42-43,46H,13-19H2,1-12H3,(H,37,44)/t20-,21-,22+,23-,24-,25+,26-,28-,29+,30-,31-,34+,35-,36-/m1/s1