[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-ethanoylimino-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-9-yl]oxy]-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-ethanoylimino-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-9-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-acetylimino-2-allyloxy-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-9-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-acetylimino-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-9-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-acetylimino-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-9-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-2-[[(1S,2R,3R,8R,9R,10R,13E,16S,18R)-17-acetylimino-2-allyloxy-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-9-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C48H70N6O12 MolecularWeight: 923.1024

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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)OC(=O)C)(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)OC(=O)C)(OC/C(=N/OCC4=NC=C(C=C4)N5C=CC=N5)/CO2)C)C)C)(C)OCC=C

InChI

InChI=1S/C48H70N6O12/c1-14-21-60-48(11)39(15-2)65-45(58)32(7)41(57)31(6)43(66-46-42(64-34(9)56)38(53(12)13)22-29(4)63-46)47(10)23-28(3)40(51-33(8)55)30(5)44(48)59-25-36(26-61-47)52-62-27-35-17-18-37(24-49-35)54-20-16-19-50-54/h14,16-20,24,28-32,38-39,42-44,46H,1,15,21-23,25-27H2,2-13H3/b51-40?,52-36+/t28-,29-,30+,31+,32?,38+,39-,42-,43-,44+,46+,47-,48-/m1/s1