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]oxy-3-oxidanylidene-propyl]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]oxy-3-oxidanylidene-propyl]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]oxy-3-oxo-propyl]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]-3-oxopropyl]amino]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]oxy-3-oxopropyl]amino]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]oxy-3-keto-propyl]amino]ethylthio]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C56H86N4O17S MolecularWeight: 1119.36364

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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)OC(=O)CCNCCSC4=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)OC(=O)CCNCCSC4=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/C56H86N4O17S/c1-16-40-56(11)47(58-53(68)77-56)31(5)43(62)29(3)26-54(9,69-14)48(76-52-45(64)39(59(12)13)24-30(4)71-52)32(6)46(33(7)51(67)73-40)75-42-27-55(10,70-15)49(34(8)72-42)74-41(61)20-21-57-22-23-78-35-18-19-38-36(25-35)44(63)37(50(65)66)28-60(38)17-2/h18-19,25,28-34,39-40,42,45-49,52,57,64H,16-17,20-24,26-27H2,1-15H3,(H,58,68)(H,65,66)/t29-,30+,31+,32+,33-,34+,39-,40-,42+,45+,46+,47-,48-,49+,52-,54-,55-,56-/m1/s1