(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[(2R,4R,5R,6S)-4-ethanoyl-5-[(E)-3-isoquinolin-4-ylprop-2-enoxy]-4,6-dimethyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[(2R,4R,5R,6S)-4-ethanoyl-5-[(E)-3-isoquinolin-4-ylprop-2-enoxy]-4,6-dimethyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-5-[(E)-3-(4-isoquinolyl)allyloxy]-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[[(2R,4R,5R,6S)-4-acetyl-5-[(E)-3-(4-isoquinolinyl)prop-2-enoxy]-4,6-dimethyl-2-oxanyl]oxy]-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-5-[(E)-3-isoquinolin-4-ylprop-2-enoxy]-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-5-[(E)-3-(4-isoquinolyl)allyloxy]-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one Formula: C51H81N3O12 MolecularWeight: 928.20174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OCC=CC3=CN=CC4=CC=CC=C43)(C)C(=O)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC/C=C/C3=CN=CC4=CC=CC=C43)(C)C(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C51H81N3O12/c1-15-40-51(11,60)44(57)33(6)54(14)28-29(2)24-50(10,59)45(66-48-42(56)39(53(12)13)23-30(3)62-48)31(4)43(32(5)47(58)64-40)65-41-25-49(9,35(8)55)46(34(7)63-41)61-22-18-20-37-27-52-26-36-19-16-17-21-38(36)37/h16-21,26-27,29-34,39-46,48,56-57,59-60H,15,22-25,28H2,1-14H3/b20-18+/t29-,30-,31+,32-,33-,34+,39+,40-,41+,42-,43+,44-,45-,46+,48+,49+,50-,51-/m1/s1