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

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methyl]-1,2,3-triazol-1-yl]phenyl]-3-fluoranyl-1-methoxy-propan-2-yl]-1,2,3-triazol-4-yl]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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)-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-triazolyl]phenyl]-3-fluoro-1-methoxypropan-2-yl]-4-triazolyl]ethyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-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-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]phenyl]-3-fluoro-1-methoxypropan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-[4-[(1,1-diketo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one Formula: C57H94FN9O15S MolecularWeight: 1196.470963

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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)N6C=C(N=N6)CN7CCS(=O)(=O)CC7)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)N6C=C(N=N6)CN7CCS(=O)(=O)CC7)OC)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C57H94FN9O15S/c1-14-46-57(9,73)51(69)37(5)64(11)30-34(2)27-55(7,72)47(26-45(36(4)53(71)81-46)80-48-28-56(8,77-13)52(70)38(6)79-48)82-54-49(68)43(25-35(3)78-54)63(10)20-19-40-32-67(62-59-40)44(29-58)50(76-12)39-15-17-42(18-16-39)66-33-41(60-61-66)31-65-21-23-83(74,75)24-22-65/h15-18,32-38,43-52,54,68-70,72-73H,14,19-31H2,1-13H3/t34-,35-,36-,37-,38+,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,54+,55-,56-,57-/m1/s1