[(2R,3R,4S,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-(pentylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate

Systemtic Name: [(2R,3R,4S,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-(pentylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate Openeye Name: [(2R,3R,4S,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-(pentylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate CAS Name: N-[2-(2-chlorophenyl)ethyl]carbamic acid [(2R,3R,4S,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-(pentylamino)methoxy]-1-oxa-6-azacyclopentadec-4-yl] ester IUPAC Name: [(2R,3R,4S,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-(pentylcarbamoyloxy)-1-oxa-6-azacyclopentadec-4-yl] N-[2-(2-chlorophenyl)ethyl]carbamate Traditional Name: N-amylcarbamic acid [(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-4-[2-(2-chlorophenyl)ethylcarbamoyloxy]-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-1-oxa-6-azacyclopentadec-11-yl] ester Formula: C45H76ClN3O12 MolecularWeight: 886.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OC1C(C(C(C(=O)OC(C(C(C(N(CC(CC1(C)O)C)C)C)OC(=O)NCCC2=CC=CC=C2Cl)(C)O)CC)C)OC3CC(C(C(O3)C)O)(C)OC)C

Isomeric SMILES

CCCCCNC(=O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@H]([C@H](N(C[C@@H](C[C@@]1(C)O)C)C)C)OC(=O)NCCC2=CC=CC=C2Cl)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C

InChI

InChI=1S/C45H76ClN3O12/c1-13-15-18-22-47-41(52)60-38-28(4)36(59-35-25-44(9,56-12)37(50)31(7)57-35)29(5)40(51)58-34(14-2)45(10,55)39(30(6)49(11)26-27(3)24-43(38,8)54)61-42(53)48-23-21-32-19-16-17-20-33(32)46/h16-17,19-20,27-31,34-39,50,54-55H,13-15,18,21-26H2,1-12H3,(H,47,52)(H,48,53)/t27-,28+,29-,30-,31+,34-,35+,36+,37+,38-,39+,43-,44-,45-/m1/s1