2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl]-1,2,3-triazol-1-yl]-3-fluoranyl-1-methoxy-propyl]phenyl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl]-1,2,3-triazol-1-yl]-3-fluoranyl-1-methoxy-propyl]phenyl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl]triazol-1-yl]-3-fluoro-1-methoxy-propyl]phenyl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl]-methylamino]ethyl]-1-triazolyl]-3-fluoro-1-methoxypropyl]phenyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]ethyl]triazol-1-yl]-3-fluoro-1-methoxypropyl]phenyl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl]triazol-1-yl]-3-fluoro-1-methoxy-propyl]phenyl]-N,N-dimethyl-acetamide Formula: C54H91FN6O14 MolecularWeight: 1067.330543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(CC(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)OC3C(C(CC(O3)C)N(C)CCC4=CN(N=N4)C(CF)C(C5=CC=C(C=C5)CC(=O)N(C)C)OC)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H](C[C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CCC4=CN(N=N4)[C@H](CF)[C@@H](C5=CC=C(C=C5)CC(=O)N(C)C)OC)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C54H91FN6O14/c1-16-42-54(9,68)48(64)34(5)60(13)29-31(2)26-52(7,67)43(25-41(33(4)50(66)74-42)73-45-27-53(8,70-15)49(65)35(6)72-45)75-51-46(63)39(23-32(3)71-51)59(12)22-21-38-30-61(57-56-38)40(28-55)47(69-14)37-19-17-36(18-20-37)24-44(62)58(10)11/h17-20,30-35,39-43,45-49,51,63-65,67-68H,16,21-29H2,1-15H3/t31-,32-,33-,34-,35+,39+,40-,41+,42-,43-,45+,46-,47-,48-,49+,51+,52-,53-,54-/m1/s1