6-[3-[[3-[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[(2S,3R,5S,6S)-5-(dimethylamino)-3-methyl-6-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]oxy-3-oxidanylidene-propyl]amino]propyl]-1-(2-methoxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[3-[[3-[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[(2S,3R,5S,6S)-5-(dimethylamino)-3-methyl-6-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]oxy-3-oxidanylidene-propyl]amino]propyl]-1-(2-methoxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[3-[[3-[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[(2S,3R,5S,6S)-5-(dimethylamino)-6-hydroxy-3-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]oxy-3-oxo-propyl]amino]propyl]-1-(2-methoxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[3-[[3-[[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[[(2S,3R,5S,6S)-5-(dimethylamino)-6-hydroxy-3-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]oxy]-3-oxopropyl]amino]propyl]-1-(2-methoxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[3-[[3-[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[(2S,3R,5S,6S)-5-(dimethylamino)-6-hydroxy-3-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]oxy-3-oxopropyl]amino]propyl]-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[3-[[3-[(2S,3S,4R,6R)-6-[[(2R,5S,7R,9S,10S,11R,14R)-8-[(2S,3R,5S,6S)-5-(dimethylamino)-6-hydroxy-3-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]oxy-3-keto-propyl]amino]propyl]-4-keto-1-(2-methoxyethyl)quinoline-3-carboxylic acid Formula: C58H92N4O18 MolecularWeight: 1133.36708

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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)CCNCCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)CCOC)(C)OC)C)OC6C(CC(C(O6)O)N(C)C)C)(C)O)C)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1C2(C([C@H](N(C[C@H](C[C@@](C([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)CCOC)(C)OC)C)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)O)N(C)C)C)(C)O)C)C)C)OC(=O)O2)C

InChI

InChI=1S/C58H92N4O18/c1-16-43-58(10)49(78-55(69)80-58)36(6)61(13)30-32(2)28-56(8,70)48(77-54-33(3)26-42(60(11)12)53(68)79-54)34(4)47(35(5)52(67)74-43)76-45-29-57(9,72-15)50(37(7)73-45)75-44(63)21-23-59-22-17-18-38-19-20-41-39(27-38)46(64)40(51(65)66)31-62(41)24-25-71-14/h19-20,27,31-37,42-43,45,47-50,53-54,59,68,70H,16-18,21-26,28-30H2,1-15H3,(H,65,66)/t32-,33+,34-,35+,36+,37-,42-,43+,45-,47-,48?,49?,50-,53-,54-,56+,57+,58?/m0/s1