(2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-azanyl-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-9-oxidanylidene-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(pyridin-2-ylmethylamino)ethyl]oxane-3-carboxamide

Systemtic Name: (2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-azanyl-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-9-oxidanylidene-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(pyridin-2-ylmethylamino)ethyl]oxane-3-carboxamide Openeye Name: (2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-amino-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(2-pyridylmethylamino)ethyl]tetrahydropyran-3-carboxamide CAS Name: (2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-amino-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(2-pyridinylmethylamino)ethyl]-3-oxanecarboxamide IUPAC Name: (2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-amino-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(pyridin-2-ylmethylamino)ethyl]oxane-3-carboxamide Traditional Name: (2S,4R,6S)-6-[[(1R,2R,4R,5S,6R,7S,8R,11S,13S,14S)-13-amino-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-9-keto-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl]oxy]-4-methoxy-2,4-dimethyl-N-[2-(2-pyridylmethylamino)ethyl]tetrahydropyran-3-carboxamide Formula: C46H79N5O10 MolecularWeight: 862.14696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(O2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)C(=O)NCCNCC4=CC=CC=N4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)N)C

Isomeric SMILES

CC[C@H]1C2([C@H]([C@@H]([C@H](O2)[C@@H](C[C@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C([C@@H](O3)C)C(=O)NCCNCC4=CC=CC=N4)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)N)C

InChI

InChI=1S/C46H79N5O10/c1-14-34-46(10)41(47)29(6)39(61-46)26(3)21-25(2)38(60-44-37(52)33(51(11)12)22-27(4)56-44)28(5)40(30(7)43(54)58-34)59-35-23-45(9,55-13)36(31(8)57-35)42(53)50-20-19-48-24-32-17-15-16-18-49-32/h15-18,25-31,33-41,44,48,52H,14,19-24,47H2,1-13H3,(H,50,53)/t25-,26-,27-,28-,29-,30-,31+,33+,34+,35+,36?,37-,38+,39-,40+,41+,44+,45-,46?/m1/s1