(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-phenylpropyl)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-phenylpropyl)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-phenylpropyl)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-phenylpropyl)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-phenylpropyl)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-phenylpropyl)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: C42H69FN4O9 MolecularWeight: 793.017063

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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=CC=CC=C4)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=CC=CC=C4)C

InChI

InChI=1S/C42H69FN4O9/c1-13-31-42(9)34(47(39(51)56-42)46(14-2)22-18-21-29-19-16-15-17-20-29)27(5)32(44)25(3)24-40(7,52-12)36(28(6)35(49)41(8,43)38(50)54-31)55-37-33(48)30(45(10)11)23-26(4)53-37/h15-17,19-20,25-28,30-34,36-37,48H,13-14,18,21-24,44H2,1-12H3/t25-,26-,27-,28+,30+,31+,32?,33-,34-,36-,37+,40+,41?,42-/m1/s1