1-(dimethylamino)-6-[3-[[3-[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propyl]amino]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(dimethylamino)-6-[3-[[3-[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propyl]amino]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(dimethylamino)-6-[3-[[3-[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroxyimino-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-oxo-propyl]amino]propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(dimethylamino)-6-[3-[[3-[[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-3-hydroxyimino-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy]-3-oxopropyl]amino]propyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(dimethylamino)-6-[3-[[3-[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-3-hydroxyimino-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxy-3-oxopropyl]amino]propyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(dimethylamino)-6-[3-[[3-[(2S,3S,4R,6R)-6-[[(1R,2S,3E,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroximino-11,16-diketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-keto-propyl]amino]propyl]-4-keto-quinoline-3-carboxylic acid Formula: C57H89N5O18 MolecularWeight: 1132.33926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)CCNCCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)N(C)C)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)(C)OC)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@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CCNCCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)N(C)C)(C)OC)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C57H89N5O18/c1-17-41-57(10)49(79-54(69)80-57)32(4)44(59-70)30(2)27-55(8,71-15)48(78-53-46(65)40(60(11)12)25-31(3)73-53)33(5)47(34(6)52(68)75-41)77-43-28-56(9,72-16)50(35(7)74-43)76-42(63)22-24-58-23-18-19-36-20-21-39-37(26-36)45(64)38(51(66)67)29-62(39)61(13)14/h20-21,26,29-35,40-41,43,46-50,53,58,65,70H,17-19,22-25,27-28H2,1-16H3,(H,66,67)/b59-44+/t30-,31-,32+,33+,34-,35+,40+,41-,43+,46-,47+,48-,49-,50+,53+,55-,56-,57-/m1/s1