[(3R,5R,6R,7S,8S,9R,12R,13R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-ethyl-3,5,7,9,13-pentamethyl-17-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-5,13-bis(oxidanyl)-2,10,16-tris(oxidanylidene)-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] (2Z)-2-methoxyimino-2-pyridin-2-yl-ethanoate

Systemtic Name: [(3R,5R,6R,7S,8S,9R,12R,13R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-ethyl-3,5,7,9,13-pentamethyl-17-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-5,13-bis(oxidanyl)-2,10,16-tris(oxidanylidene)-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] (2Z)-2-methoxyimino-2-pyridin-2-yl-ethanoate Openeye Name: [(3R,5R,6R,7S,8S,9R,12R,13R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12-ethyl-5,13-dihydroxy-3,5,7,9,13-pentamethyl-17-[2-[methyl(3-pyridylmethyl)amino]ethyl]-2,10,16-trioxo-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] (2Z)-2-methoxyimino-2-(2-pyridyl)acetate CAS Name: (2Z)-2-methoxyimino-2-(2-pyridinyl)acetic acid [(3R,5R,6R,7S,8S,9R,12R,13R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-12-ethyl-5,13-dihydroxy-3,5,7,9,13-pentamethyl-17-[2-[methyl(3-pyridinylmethyl)amino]ethyl]-2,10,16-trioxo-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] ester IUPAC Name: [(3R,5R,6R,7S,8S,9R,12R,13R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-5,13-dihydroxy-3,5,7,9,13-pentamethyl-17-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-2,10,16-trioxo-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] (2Z)-2-methoxyimino-2-pyridin-2-ylacetate Traditional Name: (2Z)-2-methyloximino-2-(2-pyridyl)acetic acid [(3R,5R,6R,7S,8S,9R,12R,13R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12-ethyl-5,13-dihydroxy-2,10,16-triketo-3,5,7,9,13-pentamethyl-17-[2-[methyl(3-pyridylmethyl)amino]ethyl]-11,15-dioxa-17-azabicyclo[12.3.0]heptadecan-8-yl] ester Formula: C46H68N6O13 MolecularWeight: 913.06452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)C(=NOC)C3=CC=CC=N3)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)N(C(=O)O2)CCN(C)CC5=CN=CC=C5)(C)O

Isomeric SMILES

CC[C@@H]1[C@@](C2C(C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)/C(=N\OC)/C3=CC=CC=N3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N(C(=O)O2)CCN(C)CC5=CN=CC=C5)(C)O

InChI

InChI=1S/C46H68N6O13/c1-12-33-46(7,59)40-35(52(44(57)65-40)21-20-51(10)25-30-16-15-18-47-24-30)36(53)26(2)23-45(6,58)39(64-43-37(54)32(50(8)9)22-27(3)61-43)28(4)38(29(5)41(55)62-33)63-42(56)34(49-60-11)31-17-13-14-19-48-31/h13-19,24,26-29,32-33,35,37-40,43,54,58-59H,12,20-23,25H2,1-11H3/b49-34-/t26-,27-,28+,29-,32+,33-,35?,37-,38+,39-,40?,43+,45-,46-/m1/s1