N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-azanyl-4H-imidazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide

Systemtic Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-azanyl-4H-imidazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide Openeye Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-4H-imidazol-2-yl)-2-pyridyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide CAS Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-4H-imidazol-2-yl)-2-pyridinyl]methoxyimino]-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide IUPAC Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-4H-imidazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Traditional Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-4H-imidazol-2-yl)-2-pyridyl]methyloximino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-5,7-diketo-2,6,8,10,16,18-hexamethyl-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Formula: C43H65N7O11 MolecularWeight: 856.0165

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=NC(=O)C)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCC4=NC=C(C=C4)C5=NCC(=N5)N)CO2)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[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)(OC/C(=N/OCC4=NC=C(C=C4)C5=NCC(=N5)N)/CO2)C)C)C)(C)O

InChI

InChI=1S/C43H65N7O11/c1-12-32-43(9,55)38-24(4)34(47-27(7)51)22(2)16-42(8,57-20-30(19-56-38)49-58-21-29-14-13-28(17-45-29)39-46-18-33(44)48-39)37(25(5)35(52)26(6)40(54)60-32)61-41-36(53)31(50(10)11)15-23(3)59-41/h13-14,17,22-26,31-32,36-38,41,53,55H,12,15-16,18-21H2,1-11H3,(H2,44,46,48)/b47-34?,49-30+/t22-,23-,24+,25+,26-,31+,32-,36-,37-,38+,41+,42-,43-/m1/s1