7-chloranyl-1-cyclopropyl-6-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,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-4-methoxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propoxy]ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-cyclopropyl-6-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,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-4-methoxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propoxy]ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-cyclopropyl-6-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,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-3,10-dihydroxy-4-methoxy-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]ethylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-cyclopropyl-6-[2-[3-[[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,10-dihydroxy-4-methoxy-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]ethylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-cyclopropyl-6-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-4-methoxy-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]ethylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-cyclopropyl-6-[2-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,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-3,10-dihydroxy-15-keto-4-methoxy-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]ethylamino]-4-keto-quinoline-3-carboxylic acid Formula: C57H91ClN4O17 MolecularWeight: 1139.80204

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)CCOCCNC3=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)OC)(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)CCOCCNC3=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)OC)(C)O

InChI

InChI=1S/C57H91ClN4O17/c1-16-43-57(10,70)50(71-14)34(6)61(13)28-30(2)26-55(8,69)49(79-54-47(65)42(60(11)12)23-31(3)74-54)32(4)48(33(5)53(68)76-43)78-45-27-56(9,72-15)51(35(7)75-45)77-44(63)19-21-73-22-20-59-40-24-37-41(25-39(40)58)62(36-17-18-36)29-38(46(37)64)52(66)67/h24-25,29-36,42-43,45,47-51,54,59,65,69-70H,16-23,26-28H2,1-15H3,(H,66,67)/t30-,31-,32+,33-,34-,35+,42+,43-,45+,47-,48+,49-,50-,51+,54+,55-,56-,57-/m1/s1