[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-11-[(4-hydroxyphenyl)methylcarbamoyloxy]-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-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate

Systemtic Name: [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-11-[(4-hydroxyphenyl)methylcarbamoyloxy]-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-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]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-11-[(4-hydroxyphenyl)methylcarbamoyloxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate CAS Name: N-[2-(2-chlorophenyl)ethyl]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]-11-[[(4-hydroxyphenyl)methylamino]-oxomethoxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-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-11-[(4-hydroxyphenyl)methylcarbamoyloxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate Traditional Name: N-[2-(2-chlorophenyl)ethyl]carbamic acid [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10-dihydroxy-11-[(4-hydroxybenzyl)carbamoyloxy]-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-1-oxa-6-azacyclopentadec-4-yl] ester Formula: C47H72ClN3O13 MolecularWeight: 922.53988

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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)NCC3=CC=C(C=C3)O)(C)O)C)C)C)OC(=O)NCCC4=CC=CC=C4Cl)(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)NCC3=CC=C(C=C3)O)(C)O)C)C)C)OC(=O)NCCC4=CC=CC=C4Cl)(C)O

InChI

InChI=1S/C47H72ClN3O13/c1-12-36-47(9,58)41(64-43(55)49-22-21-33-15-13-14-16-35(33)48)30(5)51(10)26-27(2)23-45(7,57)40(63-44(56)50-25-32-17-19-34(52)20-18-32)28(3)38(29(4)42(54)61-36)62-37-24-46(8,59-11)39(53)31(6)60-37/h13-20,27-31,36-41,52-53,57-58H,12,21-26H2,1-11H3,(H,49,55)(H,50,56)/t27-,28+,29-,30-,31+,36-,37+,38+,39+,40-,41-,45-,46-,47-/m1/s1