[(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-2,3,5,7,9,11,15-heptamethyl-7-oxidanyl-12,17-bis(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamate

Systemtic Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-2,3,5,7,9,11,15-heptamethyl-7-oxidanyl-12,17-bis(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamate Openeye Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamate CAS Name: N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamic acid [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamate Traditional Name: N-[(Z)-[(E)-4-phenylbut-3-enylidene]amino]carbamic acid [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7-hydroxy-12,17-diketo-2,3,5,7,9,11,15-heptamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C50H80N4O14 MolecularWeight: 961.1886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NN=CCC=CC4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([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]3C[C@@](C([C@@H](O3)C)OC(=O)N/N=C\C/C=C/C4=CC=CC=C4)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

InChI

InChI=1S/C50H80N4O14/c1-15-37-50(10)42(67-47(58)68-50)33(6)54(13)28-29(2)26-48(8,59)41(65-45-39(55)36(53(11)12)25-30(3)61-45)31(4)40(32(5)44(56)63-37)64-38-27-49(9,60-14)43(34(7)62-38)66-46(57)52-51-24-20-19-23-35-21-17-16-18-22-35/h16-19,21-24,29-34,36-43,45,55,59H,15,20,25-28H2,1-14H3,(H,52,57)/b23-19+,51-24-/t29-,30-,31+,32-,33-,34+,36+,37-,38+,39-,40+,41-,42-,43?,45+,48-,49-,50-/m1/s1