[(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-[(E)-(4-nitrophenyl)methylideneamino]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-[(E)-(4-nitrophenyl)methylideneamino]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-[(E)-(4-nitrophenyl)methyleneamino]carbamate CAS Name: N-[(E)-(4-nitrophenyl)methylideneamino]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-[(E)-(4-nitrophenyl)methylideneamino]carbamate Traditional Name: N-[(E)-(4-nitrobenzylidene)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: C47H75N5O16 MolecularWeight: 966.1223

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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=CC4=CC=C(C=C4)[N+](=O)[O-])(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/C4=CC=C(C=C4)[N+](=O)[O-])(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/C47H75N5O16/c1-15-34-47(10)39(67-44(56)68-47)29(6)51(13)24-25(2)21-45(8,57)38(65-42-36(53)33(50(11)12)20-26(3)61-42)27(4)37(28(5)41(54)63-34)64-35-22-46(9,60-14)40(30(7)62-35)66-43(55)49-48-23-31-16-18-32(19-17-31)52(58)59/h16-19,23,25-30,33-40,42,53,57H,15,20-22,24H2,1-14H3,(H,49,55)/b48-23+/t25-,26-,27+,28-,29-,30+,33+,34-,35+,36-,37+,38-,39-,40?,42+,45-,46-,47-/m1/s1