6-[3-[6-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-6-oxidanylidene-hexoxy]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[3-[6-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-6-oxidanylidene-hexoxy]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[3-[6-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-6-oxo-hexoxy]propyl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[3-[6-[[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy]-6-oxohexoxy]propyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[3-[6-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxy-6-oxohexoxy]propyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[3-[6-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-15-keto-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-6-keto-hexoxy]propyl]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C59H97N3O17 MolecularWeight: 1120.41138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CCCCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CC)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CCCCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CC)(C)OC)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C59H97N3O17/c1-16-45-59(11,71)51(66)38(7)61(14)32-34(3)30-57(9,70)52(79-56-49(65)44(60(12)13)28-35(4)74-56)36(5)50(37(6)55(69)76-45)78-47-31-58(10,72-15)53(39(8)75-47)77-46(63)23-19-18-20-26-73-27-21-22-40-24-25-43-41(29-40)48(64)42(54(67)68)33-62(43)17-2/h24-25,29,33-39,44-45,47,49-53,56,65-66,70-71H,16-23,26-28,30-32H2,1-15H3,(H,67,68)/t34-,35-,36+,37-,38-,39+,44+,45-,47+,49-,50+,51-,52-,53+,56?,57-,58-,59-/m1/s1