2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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-17-yl]ethanamide

Systemtic Name: 2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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-17-yl]ethanamide Openeye Name: 2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-17-yl]acetamide CAS Name: 2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-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-17-yl]acetamide IUPAC Name: 2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-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-17-yl]acetamide Traditional Name: 2-diethoxyphosphoryl-N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-17-yl]acetamide Formula: C37H64N3O14P MolecularWeight: 805.889521

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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)O)(C)OC)C)C)N(C(=O)O2)NC(=O)CP(=O)(OCC)OCC)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)O)(C)OC)C)C)N(C(=O)O2)NC(=O)CP(=O)(OCC)OCC)C

InChI

InChI=1S/C37H64N3O14P/c1-14-26-37(10)31(40(35(46)54-37)38-27(41)19-55(47,49-15-2)50-16-3)22(6)28(42)20(4)18-36(9,48-13)32(23(7)29(43)24(8)33(45)52-26)53-34-30(44)25(39(11)12)17-21(5)51-34/h20-26,30-32,34,44H,14-19H2,1-13H3,(H,38,41)/t20-,21-,22-,23+,24-,25+,26+,30-,31-,32-,34+,36-,37-/m1/s1