[(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-azanyl-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-azanyl-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-amino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-amino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-amino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,6R)-2-[[(1R,2R,4R,6R,7R,8R,10R,13S,14S)-17-amino-13-ethyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C38H57N3O11 MolecularWeight: 731.87268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C4=CC=CC=C4)(C)OC)C)C)N(C(=O)O2)N)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C4=CC=CC=C4)(C)OC)C)C)N(C(=O)O2)N)C

InChI

InChI=1S/C38H57N3O11/c1-12-27-38(8)31(41(39)36(46)52-38)22(4)28(42)20(2)19-37(7,47-11)32(23(5)29(43)24(6)33(44)49-27)51-35-30(26(40(9)10)18-21(3)48-35)50-34(45)25-16-14-13-15-17-25/h13-17,20-24,26-27,30-32,35H,12,18-19,39H2,1-11H3/t20-,21-,22+,23+,24-,26+,27+,30-,31-,32-,35+,37-,38-/m1/s1