[(2S,3R,4R,6R)-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-12-[(1R,2R,3R,4S)-4-methoxy-2,4-dimethyl-3-oxidanyl-cyclohexyl]oxy-3,5,6,7,9,11,13-heptamethyl-3,4,9-tris(oxidanyl)-14-oxidanylidene-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate

Systemtic Name: [(2S,3R,4R,6R)-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-12-[(1R,2R,3R,4S)-4-methoxy-2,4-dimethyl-3-oxidanyl-cyclohexyl]oxy-3,5,6,7,9,11,13-heptamethyl-3,4,9-tris(oxidanyl)-14-oxidanylidene-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate Openeye Name: benzyl [(2S,3R,4R,6R)-4-[benzyloxycarbonyl(methyl)amino]-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-12-[(1R,2R,3R,4S)-3-hydroxy-4-methoxy-2,4-dimethyl-cyclohexoxy]-3,5,6,7,9,11,13-heptamethyl-14-oxo-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-tetrahydropyran-3-yl] carbonate CAS Name: carbonic acid [(2S,3R,4R,6R)-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-12-[(1R,2R,3R,4S)-3-hydroxy-4-methoxy-2,4-dimethylcyclohexyl]oxy-3,5,6,7,9,11,13-heptamethyl-14-oxo-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxanyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S,3R,4R,6R)-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-12-[(1R,2R,3R,4S)-3-hydroxy-4-methoxy-2,4-dimethylcyclohexyl]oxy-3,5,6,7,9,11,13-heptamethyl-14-oxo-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] carbonate Traditional Name: carbonic acid benzyl [(2S,3R,4R,6R)-4-[carbobenzoxy(methyl)amino]-2-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-12-[(1R,2R,3R,4S)-3-hydroxy-4-methoxy-2,4-dimethyl-cyclohexoxy]-14-keto-3,5,6,7,9,11,13-heptamethyl-1-oxa-6-azacyclotetradec-10-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C53H82N2O15 MolecularWeight: 987.22258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(C(CC(C(C(C(C(C(=O)O1)C)OC2CCC(C(C2C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5)(C)O)C)C)C)O)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C53H82N2O15/c1-14-41-53(10,62)45(57)36(7)54(11)31(2)28-51(8,61)46(34(5)42(35(6)47(58)68-41)67-40-25-26-52(9,63-13)44(56)33(40)4)70-48-43(69-50(60)65-30-38-23-19-16-20-24-38)39(27-32(3)66-48)55(12)49(59)64-29-37-21-17-15-18-22-37/h15-24,31-36,39-46,48,56-57,61-62H,14,25-30H2,1-13H3/t31-,32-,33+,34+,35-,36-,39-,40-,41-,42+,43-,44-,45-,46-,48+,51-,52+,53-/m1/s1