(1R,2R,4R,6S,7R,8R,13S,14S)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-17-[ethyl-[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino]-10-fluoranyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione

Systemtic Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-17-[ethyl-[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino]-10-fluoranyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Openeye Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-17-[ethyl-[3-(2-phenylthiazol-5-yl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione CAS Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-17-[ethyl-[3-(2-phenyl-5-thiazolyl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione IUPAC Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-17-[ethyl-[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Traditional Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-17-[ethyl-[3-(2-phenylthiazol-5-yl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C45H70FN5O9S MolecularWeight: 876.128803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)N)C)N(C(=O)O2)N(CC)CCCC4=CN=C(S4)C5=CC=CC=C5)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)N)C)N(C(=O)O2)N(CC)CCCC4=CN=C(S4)C5=CC=CC=C5)C

InChI

InChI=1S/C45H70FN5O9S/c1-13-33-45(9)36(51(42(55)60-45)50(14-2)22-18-21-31-25-48-39(61-31)30-19-16-15-17-20-30)28(5)34(47)26(3)24-43(7,56-12)38(29(6)37(53)44(8,46)41(54)58-33)59-40-35(52)32(49(10)11)23-27(4)57-40/h15-17,19-20,25-29,32-36,38,40,52H,13-14,18,21-24,47H2,1-12H3/t26-,27-,28-,29+,32+,33+,34?,35-,36-,38-,40+,43+,44?,45-/m1/s1