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

Systemtic Name: [(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4,13-tris(oxidanyl)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-11-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,13-trihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,13-trihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,13-trihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,13-trihydroxy-6,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadec-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C32H58N2O11 MolecularWeight: 646.80972

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

InChI

InChI=1S/C32H58N2O11/c1-13-23-32(9,40)26(37)20(6)28(38)33-16(2)15-31(8,41-12)27(18(4)24(36)19(5)29(39)44-23)45-30-25(43-21(7)35)22(34(10)11)14-17(3)42-30/h16-20,22-27,30,36-37,40H,13-15H2,1-12H3,(H,33,38)/t16-,17-,18+,19-,20-,22-,23-,24+,25-,26-,27-,30+,31-,32-/m1/s1