[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-17-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-17-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-17-[4-[3-(3-pyridyl)pyrazol-1-yl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-17-[4-[3-(3-pyridinyl)-1-pyrazolyl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-17-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-13-ethyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-[3-(3-pyridyl)pyrazol-1-yl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C45H67N5O11 MolecularWeight: 854.04038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)OC)C)C)N(C(=O)O2)CCCCN4C=CC(=N4)C5=CN=CC=C5)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[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)OC(=O)C)(C)OC)C)C)N(C(=O)O2)CCCCN4C=CC(=N4)C5=CN=CC=C5)C

InChI

InChI=1S/C45H67N5O11/c1-13-35-45(9)39(50(43(55)61-45)21-15-14-20-49-22-18-33(47-49)32-17-16-19-46-25-32)28(4)36(52)26(2)24-44(8,56-12)40(29(5)37(53)30(6)41(54)59-35)60-42-38(58-31(7)51)34(48(10)11)23-27(3)57-42/h16-19,22,25-30,34-35,38-40,42H,13-15,20-21,23-24H2,1-12H3/t26-,27-,28+,29+,30-,34+,35-,38-,39-,40-,42+,44-,45-/m1/s1