[(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-[(Z)-3-quinolin-3-ylprop-2-enyl]carbamate

Systemtic Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-[(Z)-3-quinolin-3-ylprop-2-enyl]carbamate Openeye Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-[(Z)-3-(3-quinolyl)allyl]carbamate CAS Name: N-[(Z)-3-(3-quinolinyl)prop-2-enyl]carbamic acid [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] ester IUPAC Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-[(Z)-3-quinolin-3-ylprop-2-enyl]carbamate Traditional Name: N-[(Z)-3-(3-quinolyl)allyl]carbamic acid [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroximino-9,11,16-triketo-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] ester Formula: C43H60N4O12 MolecularWeight: 824.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NO)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC(=O)NCC=CC4=CC5=CC=CC=C5N=C4)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](/C(=N/O)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC(=O)NC/C=C\C4=CC5=CC=CC=C5N=C4)C)C)OC(=O)O2)C

InChI

InChI=1S/C43H60N4O12/c1-11-32-43(8)37(57-41(52)59-43)25(4)33(46-53)23(2)21-42(7,58-40(51)44-18-14-15-28-20-29-16-12-13-17-30(29)45-22-28)36(26(5)34(48)27(6)38(50)55-32)56-39-35(49)31(47(9)10)19-24(3)54-39/h12-17,20,22-27,31-32,35-37,39,49,53H,11,18-19,21H2,1-10H3,(H,44,51)/b15-14-,46-33+/t23-,24-,25-,26+,27-,31+,32+,35-,36-,37-,39+,42+,43-/m1/s1