6-[2-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,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-3-oxidanylidene-propoxy]ethoxy]ethylamino]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[2-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,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-3-oxidanylidene-propoxy]ethoxy]ethylamino]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[2-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,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-3-oxo-propoxy]ethoxy]ethylamino]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[2-[2-[3-[[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,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]-3-oxopropoxy]ethoxy]ethylamino]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[2-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,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-3-oxopropoxy]ethoxy]ethylamino]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[2-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,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-3-keto-propoxy]ethoxy]ethylamino]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C57H94N4O18 MolecularWeight: 1123.37226

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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)CCOCCOCCNC3=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)CCOCCOCCNC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CC)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C57H94N4O18/c1-16-43-57(11,70)49(65)36(7)60(14)30-32(3)28-55(9,69)50(79-54-47(64)42(59(12)13)26-33(4)74-54)34(5)48(35(6)53(68)76-43)78-45-29-56(10,71-15)51(37(8)75-45)77-44(62)20-22-72-24-25-73-23-21-58-38-18-19-41-39(27-38)46(63)40(52(66)67)31-61(41)17-2/h18-19,27,31-37,42-43,45,47-51,54,58,64-65,69-70H,16-17,20-26,28-30H2,1-15H3,(H,66,67)/t32-,33-,34+,35-,36-,37+,42+,43-,45+,47-,48+,49-,50-,51+,54+,55-,56-,57-/m1/s1