- 3 of 10 defined stereocentres
(2R,9S,16S)-16-Amino-2-hydroxy-6,20-bis(1-hydroxyethyl)-23-[2-(4-hydroxyphenyl)ethyl]-9-({[4''-(octyloxy)-1,1':4',1''-terphenyl-4-yl]methyl}amino)hexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13, 16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone
O=C4N7C(C(=O)NCCC[C@H](NCc3ccc(c2ccc(c1ccc(OCCCCCCCC)cc1)cc2)cc3)C(=O)NC(C(=O)N6C(C(=O)NC(C(=O)NC4C(O)C)CCc5ccc(O)cc5)C[C@@H](O)C6)C(O)C)C[C@H](N)C7 CopyCopied
InChI=1S/C60H80N8O11/c1-4-5-6-7-8-9-31-79-48-27-23-44(24-28-48)43-21-19-42(20-22-43)41-17-12-40(13-18-41)34-63-49-11-10-30-62-57(75)51-32-45(61)35-67(51)59(77)53(37(2)69)66-56(74)50(29-16-39-14-25-46(71)26-15-39)64-58(76)52-33-47(72)36-68(52)60(78)54(38(3)70)65-55(49)73/h12-15,17-28,37-38,45,47,49-54,63,69-72H,4-11,16,29-36,61H2,1-3H3,(H,62,75)(H,64,76)(H,65,73)(H,66,74)/t37?,38?,45-,47+,49-,50?,51?,52?,53?,54?/m0/s1 CopyCopied
GUMKNALUGQMKEL-QHOKTFFFSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(18S,26S,11R)-26-Amino-3,15-bis(hydroxyethyl)-11-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-18-[({4-[4-(4-octyloxyphenyl)phenyl]phenyl}methyl)amino]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<9,13>]heptacosane
-2,5,8,14,17,23-hexaone
(18S,26S,11R)-26-Amino-3,15-bis(hydroxyethyl)-11-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-18-[({4-[4-(4-octyloxyphenyl)phenyl]phenyl}methyl)amino]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<9,13>]heptacosane-2,5,8,14,17,23-hexaone
AIDS123306 [DBID]
AIDS-123306 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
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