(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-prop-2-ynoxy-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-prop-2-ynoxy-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-prop-2-ynoxy-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-prop-2-ynoxy-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-prop-2-ynoxy-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-propargyloxy-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C32H50N2O10 MolecularWeight: 622.7468

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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#C)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)OCC#C)C)C)NC(=O)O2)C

InChI

InChI=1S/C32H50N2O10/c1-11-13-40-27-18(5)25(37)19(6)29-32(8,44-31(39)33-29)23(12-2)42-24(36)15-22(35)17(4)28(20(27)7)43-30-26(38)21(34(9)10)14-16(3)41-30/h1,16-21,23,26-30,38H,12-15H2,2-10H3,(H,33,39)/t16-,17+,18+,19-,20-,21+,23+,26-,27+,28-,29?,30+,32-/m1/s1