(2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[(2-azanylcyclohexyl)amino]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-[(2-azanylcyclohexyl)amino]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-[(2-aminocyclohexyl)amino]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-[(2-aminocyclohexyl)amino]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-[(2-aminocyclohexyl)amino]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-[(2-aminocyclohexyl)amino]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: C56H96FN7O13 MolecularWeight: 1094.398943

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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)NC6CCCCC6N)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)NC6CCCCC6N)OC)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C56H96FN7O13/c1-14-45-56(9,70)50(66)35(5)63(11)30-32(2)27-54(7,69)46(26-44(34(4)52(68)76-45)75-47-28-55(8,72-13)51(67)36(6)74-47)77-53-48(65)42(25-33(3)73-53)62(10)24-23-39-31-64(61-60-39)43(29-57)49(71-12)37-19-21-38(22-20-37)59-41-18-16-15-17-40(41)58/h19-22,31-36,40-51,53,59,65-67,69-70H,14-18,23-30,58H2,1-13H3/t32-,33-,34-,35-,36+,40?,41?,42+,43-,44+,45-,46-,47+,48-,49-,50-,51+,53+,54-,55-,56-/m1/s1