(1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)prop-2-enoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)prop-2-enoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)allyloxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)prop-2-enoxy]-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)prop-2-enoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[(E)-3-(3H-benzimidazol-5-yl)allyloxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C40H58N4O10 MolecularWeight: 754.90932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC5=C(C=C4)N=CN5)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=C(C=C4)N=CN5)C)C)NC(=O)O2)C

InChI

InChI=1S/C40H58N4O10/c1-11-30-40(8)34(43-38(49)54-40)23(4)31(45)21(2)19-39(7,50-16-12-13-26-14-15-27-28(18-26)42-20-41-27)35(24(5)32(46)25(6)36(48)52-30)53-37-33(47)29(44(9)10)17-22(3)51-37/h12-15,18,20-25,29-30,33-35,37,47H,11,16-17,19H2,1-10H3,(H,41,42)(H,43,49)/b13-12+/t21-,22-,23+,24+,25-,29+,30-,33-,34-,35-,37+,39-,40-/m1/s1