[(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] N-[(4-pyridin-4-ylphenyl)methyl]carbamate

Systemtic Name: [(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] N-[(4-pyridin-4-ylphenyl)methyl]carbamate Openeye Name: [(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] N-[[4-(4-pyridyl)phenyl]methyl]carbamate CAS Name: N-[(4-pyridin-4-ylphenyl)methyl]carbamic acid [(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] ester IUPAC Name: [(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] N-[(4-pyridin-4-ylphenyl)methyl]carbamate Traditional Name: N-[4-(4-pyridyl)benzyl]carbamic acid [(2E)-2-[(1S,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-3-ylidene]ethyl] ester Formula: C46H66N4O11 MolecularWeight: 851.03644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=CCOC(=O)NCC3=CC=C(C=C3)C4=CC=NC=C4)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H]([C@H](/C(=C/COC(=O)NCC3=CC=C(C=C3)C4=CC=NC=C4)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C46H66N4O11/c1-12-36-46(8)39(49-44(55)61-46)28(4)34(19-22-57-43(54)48-25-31-13-15-32(16-14-31)33-17-20-47-21-18-33)26(2)24-45(7,56-11)40(29(5)37(51)30(6)41(53)59-36)60-42-38(52)35(50(9)10)23-27(3)58-42/h13-21,26-30,35-36,38-40,42,52H,12,22-25H2,1-11H3,(H,48,54)(H,49,55)/b34-19+/t26-,27-,28+,29+,30-,35+,36-,38-,39+,40-,42?,45-,46-/m1/s1