[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-2,4,6,8,10,14-hexamethyl-16-morpholin-4-yl-6-oxidanyl-3,9,11-tris(oxidanylidene)-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-2,4,6,8,10,14-hexamethyl-16-morpholin-4-yl-6-oxidanyl-3,9,11-tris(oxidanylidene)-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-16-morpholino-3,9,11-trioxo-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-16-(4-morpholinyl)-3,9,11-trioxo-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-16-morpholin-4-yl-3,9,11-trioxo-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14R)-13-ethyl-6-hydroxy-3,9,11-triketo-2,4,6,8,10,14-hexamethyl-16-morpholino-12,15,17-trioxa-16-phosphabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C40H61N2O12P MolecularWeight: 792.892301

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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)O)C)C)OP(O2)N5CCOCC5)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)O)C)C)OP(O2)N5CCOCC5)C

InChI

InChI=1S/C40H61N2O12P/c1-11-30-40(8)35(53-55(54-40)42-17-19-48-20-18-42)25(4)31(43)23(2)22-39(7,47)34(26(5)32(44)27(6)36(45)50-30)52-38-33(29(41(9)10)21-24(3)49-38)51-37(46)28-15-13-12-14-16-28/h12-16,23-27,29-30,33-35,38,47H,11,17-22H2,1-10H3/t23-,24-,25+,26+,27-,29+,30-,33-,34-,35-,38+,39-,40-,55?/m1/s1