7-chloranyl-1-cyclopropyl-6-[2-[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-propyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-cyclopropyl-6-[2-[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-propyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-cyclopropyl-6-[2-[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-propyl]amino]ethoxy]ethoxy]ethylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-cyclopropyl-6-[2-[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-oxopropyl]amino]ethoxy]ethoxy]ethylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-cyclopropyl-6-[2-[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-oxopropyl]amino]ethoxy]ethoxy]ethylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-cyclopropyl-6-[2-[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-propyl]amino]ethoxy]ethoxy]ethylamino]-4-keto-quinoline-3-carboxylic acid Formula: C60H98ClN5O18 MolecularWeight: 1212.89582

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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)CCNCCOCCOCCNC3=C(C=C4C(=C3)C(=O)C(=CN4C5CC5)C(=O)O)Cl)(C)OC)C)OC6C(C(CC(O6)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)CCNCCOCCOCCNC3=C(C=C4C(=C3)C(=O)C(=CN4C5CC5)C(=O)O)Cl)(C)OC)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C60H98ClN5O18/c1-15-46-60(10,75)52(70)37(6)65(13)31-33(2)29-58(8,74)53(84-57-50(69)45(64(11)12)26-34(3)79-57)35(4)51(36(5)56(73)81-46)83-48-30-59(9,76-14)54(38(7)80-48)82-47(67)18-19-62-20-22-77-24-25-78-23-21-63-43-27-40-44(28-42(43)61)66(39-16-17-39)32-41(49(40)68)55(71)72/h27-28,32-39,45-46,48,50-54,57,62-63,69-70,74-75H,15-26,29-31H2,1-14H3,(H,71,72)/t33-,34-,35+,36-,37-,38+,45+,46-,48+,50-,51+,52-,53-,54+,57+,58-,59-,60-/m1/s1