[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-11-(phenethylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[(4-fluorophenyl)methyl]carbamate

Systemtic Name: [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-11-(phenethylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[(4-fluorophenyl)methyl]carbamate Openeye Name: [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-(phenethylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[(4-fluorophenyl)methyl]carbamate CAS Name: N-[(4-fluorophenyl)methyl]carbamic acid [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10-dihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[oxo-(phenethylamino)methoxy]-1-oxa-6-azacyclopentadec-4-yl] ester IUPAC Name: [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-(phenethylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[(4-fluorophenyl)methyl]carbamate Traditional Name: N-(4-fluorobenzyl)carbamic acid [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,12,14-heptamethyl-11-(phenethylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] ester Formula: C47H72FN3O12 MolecularWeight: 890.085883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC(=O)NCCC3=CC=CC=C3)(C)O)C)C)C)OC(=O)NCC4=CC=C(C=C4)F)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)OC(=O)NCCC3=CC=CC=C3)(C)O)C)C)C)OC(=O)NCC4=CC=C(C=C4)F)(C)O

InChI

InChI=1S/C47H72FN3O12/c1-12-36-47(9,57)41(63-44(55)50-26-34-18-20-35(48)21-19-34)31(5)51(10)27-28(2)24-45(7,56)40(62-43(54)49-23-22-33-16-14-13-15-17-33)29(3)38(30(4)42(53)60-36)61-37-25-46(8,58-11)39(52)32(6)59-37/h13-21,28-32,36-41,52,56-57H,12,22-27H2,1-11H3,(H,49,54)(H,50,55)/t28-,29+,30-,31-,32+,36-,37+,38+,39+,40-,41-,45-,46-,47-/m1/s1