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

Systemtic Name: [(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-11-[(2S,3S,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)-7,15-bis(oxidanylidene)-1-oxa-6-azacyclopentadec-13-yl] 3-(diethylamino)propanoate Openeye Name: [(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-11-[(2S,3S,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-(diethylamino)propanoate CAS Name: 3-(diethylamino)propanoic acid [(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-11-[[(2S,3S,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)-2-oxanyl]oxy]-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] ester IUPAC Name: [(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-11-[(2S,3S,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-(diethylamino)propanoate Traditional Name: 3-(diethylamino)propionic acid [(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-11-[(2S,3S,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-7,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-13-yl] ester Formula: C36H67N3O11 MolecularWeight: 717.93068

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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(CC)CC)C)OC2C(C(CC(O2)C)NC)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(CC)CC)C)O[C@H]2[C@H]([C@H](C[C@H](O2)C)NC)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C36H67N3O11/c1-13-26-36(10,45)30(42)24(8)38-32(43)20(4)19-35(9,46-12)31(50-34-28(41)25(37-11)18-21(5)47-34)22(6)29(23(7)33(44)48-26)49-27(40)16-17-39(14-2)15-3/h20-26,28-31,34,37,41-42,45H,13-19H2,1-12H3,(H,38,43)/t20-,21-,22+,23-,24-,25+,26-,28+,29+,30+,31-,34+,35-,36-/m1/s1