[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-7-[(2R,3S,4R,6S)-6-methyl-4-[methyl(prop-2-enyl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,11,16-tris(oxidanylidene)-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-2-ylethanoate

Systemtic Name: [(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-7-[(2R,3S,4R,6S)-6-methyl-4-[methyl(prop-2-enyl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,11,16-tris(oxidanylidene)-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-2-ylethanoate Openeye Name: [(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-[allyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-17-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 2-(2-pyridyl)acetate CAS Name: 2-(2-pyridinyl)acetic acid [(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-13-ethyl-7-[[(2R,3S,4R,6S)-3-hydroxy-6-methyl-4-[methyl(prop-2-enyl)amino]-2-oxanyl]oxy]-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-17-[4-[4-(3-pyridinyl)-1-imidazolyl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-13-ethyl-7-[(2R,3S,4R,6S)-3-hydroxy-6-methyl-4-[methyl(prop-2-enyl)amino]oxan-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-2-ylacetate Traditional Name: 2-(2-pyridyl)acetic acid [(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2R,3S,4R,6S)-4-[allyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C52H74N6O11 MolecularWeight: 959.17756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC3=CC=CC=N3)C)OC4C(C(CC(O4)C)N(C)CC=C)O)(C)OC)C)C)N(C(=O)O2)CCCCN5C=C(N=C5)C6=CN=CC=C6)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CC=CC=N3)C)O[C@@H]4[C@H]([C@@H](C[C@@H](O4)C)N(C)CC=C)O)(C)OC)C)C)N(C(=O)O2)CCCCN5C=C(N=C5)C6=CN=CC=C6)C

InChI

InChI=1S/C52H74N6O11/c1-12-23-56(10)40-26-33(4)65-49(44(40)61)68-47-35(6)45(67-42(59)27-38-20-14-15-22-54-38)36(7)48(62)66-41(13-2)52(9)46(34(5)43(60)32(3)28-51(47,8)64-11)58(50(63)69-52)25-17-16-24-57-30-39(55-31-57)37-19-18-21-53-29-37/h12,14-15,18-22,29-36,40-41,44-47,49,61H,1,13,16-17,23-28H2,2-11H3/t32-,33+,34+,35+,36-,40-,41-,44+,45+,46-,47-,49-,51-,52-/m1/s1