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

Systemtic Name: [(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-4-[2-(4-hydroxyphenyl)ethylcarbamoyloxy]-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-11-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-4-[2-(4-hydroxyphenyl)ethylcarbamoyloxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-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]-4-[[2-(4-hydroxyphenyl)ethylamino]-oxomethoxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-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-4-[2-(4-hydroxyphenyl)ethylcarbamoyloxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-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-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-[2-(4-hydroxyphenyl)ethylcarbamoyloxy]-15-keto-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-11-yl] ester Formula: C48H74ClN3O13 MolecularWeight: 936.56646

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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=C3Cl)(C)O)C)C)C)OC(=O)NCCC4=CC=C(C=C4)O)(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=C3Cl)(C)O)C)C)C)OC(=O)NCCC4=CC=C(C=C4)O)(C)O

InChI

InChI=1S/C48H74ClN3O13/c1-12-37-48(9,59)42(65-45(57)50-23-21-33-17-19-35(53)20-18-33)31(5)52(10)27-28(2)25-46(7,58)41(64-44(56)51-24-22-34-15-13-14-16-36(34)49)29(3)39(30(4)43(55)62-37)63-38-26-47(8,60-11)40(54)32(6)61-38/h13-20,28-32,37-42,53-54,58-59H,12,21-27H2,1-11H3,(H,50,57)(H,51,56)/t28-,29+,30-,31-,32+,37-,38+,39+,40+,41-,42-,46-,47-,48-/m1/s1