(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolinyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H57N3O10 MolecularWeight: 763.91608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(C(C(C(C(C(=O)C(C(=O)O1)CC#CC3=CC4=CC=CC=C4N=C3)C)OC5C(C(CC(O5)C)N(C)C)O)C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2(C([C@@H](C(=O)[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)C(C(=O)O1)CC#CC3=CC4=CC=CC=C4N=C3)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H57N3O10/c1-11-32-42(7)38(44-41(50)55-42)25(5)33(46)23(3)36(51-10)26(6)37(54-40-35(48)31(45(8)9)19-22(2)52-40)24(4)34(47)29(39(49)53-32)17-14-15-27-20-28-16-12-13-18-30(28)43-21-27/h12-13,16,18,20-26,29,31-32,35-38,40,48H,11,17,19H2,1-10H3,(H,44,50)/t22-,23+,24+,25-,26-,29?,31+,32+,35-,36+,37-,38?,40+,42-/m1/s1