7-chloranyl-1-cyclopropyl-6-[2-[2-[2-[[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-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-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-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-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-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-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-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-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-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-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-10-hydroximino-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-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: C59H94ClN5O19 MolecularWeight: 1212.85276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NO)C(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)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[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)O)(C)O

InChI

InChI=1S/C59H94ClN5O19/c1-14-44-59(10,74)51(69)33(4)47(63-75)31(2)28-57(8,73)52(84-56-49(68)43(64(11)12)25-32(3)79-56)34(5)50(35(6)55(72)81-44)83-46-29-58(9,76-13)53(36(7)80-46)82-45(66)17-18-61-19-21-77-23-24-78-22-20-62-41-26-38-42(27-40(41)60)65(37-15-16-37)30-39(48(38)67)54(70)71/h26-27,30-37,43-44,46,49-53,56,61-62,68-69,73-75H,14-25,28-29H2,1-13H3,(H,70,71)/b63-47+/t31-,32+,33+,34+,35-,36+,43-,44-,46+,49+,50+,51-,52-,53+,56-,57-,58-,59-/m1/s1