(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoranyl-1-methoxy-1-[4-(4-pentan-2-yl-1,2,3-triazol-1-yl)phenyl]propan-2-yl]-1,2,3-triazol-4-yl]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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)-1-oxa-6-azacyclopentadecan-15-one

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoranyl-1-methoxy-1-[4-(4-pentan-2-yl-1,2,3-triazol-1-yl)phenyl]propan-2-yl]-1,2,3-triazol-4-yl]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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)-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-1-(fluoromethyl)-2-methoxy-2-[4-[4-(1-methylbutyl)triazol-1-yl]phenyl]ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(4-pentan-2-yl-1-triazolyl)phenyl]propan-2-yl]-4-triazolyl]ethyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-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-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(4-pentan-2-yltriazol-1-yl)phenyl]propan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-1-(fluoromethyl)-2-methoxy-2-[4-[4-(1-methylbutyl)triazol-1-yl]phenyl]ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one Formula: C57H95FN8O13 MolecularWeight: 1119.408403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CN(N=N1)C2=CC=C(C=C2)C(C(CF)N3C=C(N=N3)CCN(C)C4CC(OC(C4O)OC5CC(C(C(=O)OC(C(C(C(N(CC(CC5(C)O)C)C)C)O)(C)O)CC)C)OC6CC(C(C(O6)C)O)(C)OC)C)OC

Isomeric SMILES

CCCC(C)C1=CN(N=N1)C2=CC=C(C=C2)[C@H]([C@@H](CF)N3C=C(N=N3)CCN(C)[C@H]4C[C@H](O[C@H]([C@@H]4O)O[C@@H]5C[C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]5(C)O)C)C)C)O)(C)O)CC)C)O[C@H]6C[C@@]([C@H]([C@@H](O6)C)O)(C)OC)C)OC

InChI

InChI=1S/C57H95FN8O13/c1-16-18-34(4)42-32-65(62-60-42)41-21-19-39(20-22-41)50(73-14)44(29-58)66-31-40(59-61-66)23-24-63(12)43-25-35(5)75-54(49(43)67)79-47-26-45(77-48-28-56(10,74-15)52(69)38(8)76-48)36(6)53(70)78-46(17-2)57(11,72)51(68)37(7)64(13)30-33(3)27-55(47,9)71/h19-22,31-38,43-52,54,67-69,71-72H,16-18,23-30H2,1-15H3/t33-,34?,35-,36-,37-,38+,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,54+,55-,56-,57-/m1/s1