[(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)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] 2-pyridin-4-ylethanoate

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)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] 2-pyridin-4-ylethanoate 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-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] 2-(4-pyridyl)acetate CAS Name: 2-pyridin-4-ylacetic 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-6,15-dioxo-1-oxa-7-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-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] 2-pyridin-4-ylacetate Traditional Name: 2-(4-pyridyl)acetic 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-6,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadec-13-yl] ester Formula: C37H61N3O11 MolecularWeight: 723.89374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)NC(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC2=CC=NC=C2)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)N[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CC=NC=C2)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C37H61N3O11/c1-12-27-37(8,46)31(43)24(6)33(44)39-20(2)19-36(7,47-11)32(51-35-29(42)26(40(9)10)17-21(3)48-35)22(4)30(23(5)34(45)49-27)50-28(41)18-25-13-15-38-16-14-25/h13-16,20-24,26-27,29-32,35,42-43,46H,12,17-19H2,1-11H3,(H,39,44)/t20-,21-,22+,23-,24-,26+,27-,29-,30+,31-,32-,35+,36-,37-/m1/s1