[(2S,3R,4R,6R)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-13-[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-3,5,6,8,10,12,13,14-octamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] (phenylmethyl) carbonate

Systemtic Name: [(2S,3R,4R,6R)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-13-[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-3,5,6,8,10,12,13,14-octamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] (phenylmethyl) carbonate Openeye Name: benzyl [(2S,3R,4R,6R)-4-(benzyloxycarbonylamino)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-3,10-dihydroxy-13-[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,13,14-octamethyl-15-oxo-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] carbonate CAS Name: carbonic acid [(2S,3R,4R,6R)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-3,10-dihydroxy-13-[[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-2-oxanyl]oxy]-3,5,6,8,10,12,13,14-octamethyl-15-oxo-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-4-(phenylmethoxycarbonylamino)-3-oxanyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S,3R,4R,6R)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-3,10-dihydroxy-13-[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-3,5,6,8,10,12,13,14-octamethyl-15-oxo-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] carbonate Traditional Name: carbonic acid benzyl [(2S,3R,4R,6R)-4-(benzyloxycarbonylamino)-2-[[(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-2-ethyl-3,10-dihydroxy-15-keto-13-[(2R,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,13,14-octamethyl-4-trimethylsilyloxy-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C59H98N2O16Si2 MolecularWeight: 1147.58422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)(C)OC2CC(C(C(O2)C)O[Si](C)(C)C)(C)OC)C)OC3C(C(CC(O3)C)NC(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5)(C)O)C)C)C)O[Si](C)(C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@]([C@H](C(=O)O1)C)(C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)O[Si](C)(C)C)(C)OC)C)O[C@H]3[C@@H]([C@@H](C[C@H](O3)C)NC(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5)(C)O)C)C)C)O[Si](C)(C)C)(C)O

InChI

InChI=1S/C59H98N2O16Si2/c1-20-46-58(10,66)50(76-78(14,15)16)41(6)61(12)34-37(2)32-56(8,65)49(39(4)59(11,40(5)52(62)72-46)75-47-33-57(9,67-13)51(42(7)71-47)77-79(17,18)19)74-53-48(73-55(64)69-36-44-29-25-22-26-30-44)45(31-38(3)70-53)60-54(63)68-35-43-27-23-21-24-28-43/h21-30,37-42,45-51,53,65-66H,20,31-36H2,1-19H3,(H,60,63)/t37-,38-,39-,40+,41-,42-,45-,46-,47-,48-,49-,50-,51-,53+,56-,57+,58-,59+/m1/s1