7-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,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-2,4,6,8,10,14-hexamethyl-6-oxidanyl-3,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxysulfonylethylamino]ethoxy]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,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-2,4,6,8,10,14-hexamethyl-6-oxidanyl-3,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxysulfonylethylamino]ethoxy]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,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-6-hydroxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxysulfonylethylamino]ethoxy]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-[2-[[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxysulfonyl]ethylamino]ethoxy]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxysulfonylethylamino]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,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-6-hydroxy-3,11,16-triketo-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]oxysulfonylethylamino]ethoxy]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C54H83N3O20S MolecularWeight: 1126.30992

Click to see the large picture

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)OS(=O)(=O)CCNCCOC4=CC5=C(C=C4)C(=O)C(=CN5CC)C(=O)O)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)(C)O)C)C)OC(=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)OS(=O)(=O)CCNCCOC4=CC5=C(C=C4)C(=O)C(=CN5CC)C(=O)O)(C)OC)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C

InChI

InChI=1S/C54H83N3O20S/c1-15-39-54(11)46(75-51(64)76-54)30(5)41(58)28(3)25-52(9,65)45(74-50-43(60)38(56(12)13)23-29(4)70-50)31(6)44(32(7)49(63)72-39)73-40-26-53(10,68-14)47(33(8)71-40)77-78(66,67)22-20-55-19-21-69-34-17-18-35-37(24-34)57(16-2)27-36(42(35)59)48(61)62/h17-18,24,27-33,38-40,43-47,50,55,60,65H,15-16,19-23,25-26H2,1-14H3,(H,61,62)/t28-,29-,30+,31+,32-,33+,38+,39-,40+,43-,44+,45-,46-,47+,50+,52-,53-,54-/m1/s1