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

Systemtic Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[3-(3-pyridin-2-yl-1,2-oxazol-5-yl)prop-2-ynoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[3-[3-(2-pyridyl)isoxazol-5-yl]prop-2-ynoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[3-[3-(2-pyridinyl)-5-isoxazolyl]prop-2-ynoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[3-(3-pyridin-2-yl-1,2-oxazol-5-yl)prop-2-ynoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[3-[3-(2-pyridyl)isoxazol-5-yl]prop-2-ynoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C41H56N4O11 MolecularWeight: 780.90354

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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=CC(=NO4)C5=CC=CC=N5)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)OCC#CC4=CC(=NO4)C5=CC=CC=N5)C)C)NC(=O)O2)C

InChI

InChI=1S/C41H56N4O11/c1-11-31-41(8)35(43-39(50)55-41)24(4)32(46)22(2)21-40(7,51-18-14-15-27-20-29(44-56-27)28-16-12-13-17-42-28)36(25(5)33(47)26(6)37(49)53-31)54-38-34(48)30(45(9)10)19-23(3)52-38/h12-13,16-17,20,22-26,30-31,34-36,38,48H,11,18-19,21H2,1-10H3,(H,43,50)/t22-,23-,24-,25+,26-,30+,31+,34-,35-,36-,38+,40+,41-/m1/s1