(3R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-(2-azanyl-1,3-thiazol-5-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-14-ethyl-7-methoxy-3,7,9,11,13-pentamethyl-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,4,10-trione

Systemtic Name: (3R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-(2-azanyl-1,3-thiazol-5-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-14-ethyl-7-methoxy-3,7,9,11,13-pentamethyl-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,4,10-trione Openeye Name: (3R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-(2-aminothiazol-5-yl)phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione CAS Name: (3R,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-(2-amino-5-thiazolyl)phenyl]-3-fluoro-1-methoxypropan-2-yl]-4-triazolyl]ethyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione IUPAC Name: (3R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione Traditional Name: (3R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-(2-aminothiazol-5-yl)phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione Formula: C45H67FN6O11S MolecularWeight: 919.110483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(CC(=O)C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)CCC3=CN(N=N3)C(CF)C(C4=CC=C(C=C4)C5=CN=C(S5)N)OC)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](CC(=O)[C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)CCC3=CN(N=N3)[C@H](CF)[C@@H](C4=CC=C(C=C4)C5=CN=C(S5)N)OC)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C45H67FN6O11S/c1-11-35-45(7,58)40(56)27(5)37(54)24(2)20-44(6,60-10)36(19-33(53)26(4)41(57)62-35)63-42-38(55)31(18-25(3)61-42)51(8)17-16-30-23-52(50-49-30)32(21-46)39(59-9)29-14-12-28(13-15-29)34-22-48-43(47)64-34/h12-15,22-27,31-32,35-36,38-40,42,55-56,58H,11,16-21H2,1-10H3,(H2,47,48)/t24-,25-,26-,27+,31+,32-,35-,36-,38-,39-,40-,42+,44-,45-/m1/s1