(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-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylallyloxy]-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-2,4,6,8,14-pentamethyl-5-[(E)-3-(5-quinoxalinyl)prop-2-enoxy]-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-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylallyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C40H56N4O10 MolecularWeight: 752.89344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(C(C(C(C(C(=O)CC(=O)O1)C)OC3C(C(CC(O3)C)N(C)C)O)C)OCC=CC4=C5C(=CC=C4)N=CC=N5)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)CC(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)OC/C=C/C4=C5C(=CC=C4)N=CC=N5)C)C)NC(=O)O2)C

InChI

InChI=1S/C40H56N4O10/c1-10-30-40(7)37(43-39(49)54-40)24(5)33(47)23(4)35(50-18-12-14-26-13-11-15-27-32(26)42-17-16-41-27)25(6)36(22(3)29(45)20-31(46)52-30)53-38-34(48)28(44(8)9)19-21(2)51-38/h11-17,21-25,28,30,34-38,48H,10,18-20H2,1-9H3,(H,43,49)/b14-12+/t21-,22+,23+,24-,25-,28+,30+,34-,35+,36-,37?,38+,40-/m1/s1