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

Systemtic Name: 6-[2-[3-[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxypropyl-methyl-amino]ethylsulfanyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[2-[3-[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxypropyl-methyl-amino]ethylsulfanyl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[2-[3-[[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy]propyl-methylamino]ethylthio]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[2-[3-[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxypropyl-methylamino]ethylsulfanyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[2-[3-[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxypropyl-methyl-amino]ethylthio]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C57H90N4O16S MolecularWeight: 1119.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OCCCN(C)CCSC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)CC)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=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)OCCCN(C)CCSC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)CC)(C)OC)C)O[C@@H]6[C@H]([C@@H](C[C@@H](O6)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C57H90N4O16S/c1-17-42-57(11)48(58-54(68)77-57)33(5)44(62)31(3)28-55(9,69-15)49(76-53-46(64)41(59(12)13)26-32(4)72-53)34(6)47(35(7)52(67)74-42)75-43-29-56(10,70-16)50(36(8)73-43)71-24-19-22-60(14)23-25-78-37-20-21-40-38(27-37)45(63)39(51(65)66)30-61(40)18-2/h20-21,27,30-36,41-43,46-50,53,64H,17-19,22-26,28-29H2,1-16H3,(H,58,68)(H,65,66)/t31-,32+,33+,34+,35-,36+,41-,42-,43+,46+,47+,48-,49-,50+,53-,55-,56-,57-/m1/s1