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

Systemtic Name: N-[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-5,7-bis(oxidanylidene)-2-prop-2-enoxy-13-[(5-pyrazol-1-ylpyridin-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide Openeye Name: N-[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-2-allyloxy-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-[(5-pyrazol-1-yl-2-pyridyl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide CAS Name: N-[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2,6,8,10,16,18-hexamethyl-5,7-dioxo-2-prop-2-enoxy-13-[[5-(1-pyrazolyl)-2-pyridinyl]methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide IUPAC Name: N-[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-5,7-dioxo-2-prop-2-enoxy-13-[(5-pyrazol-1-ylpyridin-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Traditional Name: N-[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-2-allyloxy-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-5,7-diketo-2,6,8,10,16,18-hexamethyl-13-[(5-pyrazol-1-yl-2-pyridyl)methyloximino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Formula: C46H68N6O11 MolecularWeight: 881.06572

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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)N5C=CC=N5)CO2)C)C)C)(C)OCC=C

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(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)N5C=CC=N5)/CO2)C)C)C)(C)OCC=C

InChI

InChI=1S/C46H68N6O11/c1-13-20-58-46(10)37(14-2)62-43(56)31(7)39(54)30(6)41(63-44-40(55)36(51(11)12)21-28(4)61-44)45(9)22-27(3)38(49-32(8)53)29(5)42(46)57-24-34(25-59-45)50-60-26-33-16-17-35(23-47-33)52-19-15-18-48-52/h13,15-19,23,27-31,36-37,40-42,44,55H,1,14,20-22,24-26H2,2-12H3/b49-38?,50-34+/t27-,28-,29+,30+,31?,36+,37-,40-,41-,42+,44+,45-,46-/m1/s1