Magainin 1 acetate

Iupac Name

(2S,5S,8S,11S,14S)-14-(((5S,8S,11S,14S,20S,23S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,44-tris(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecahydroxy-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentaconta-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaen-1-ylidene)amino)-5-(4-aminobutyl)-11-((S)-sec-butyl)-4,7,10,13-tetrahydroxy-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-3,6,9,12-tetraazaheptadeca-3,6,9,12-tetraenedioic acid--acetic acid (1/1)

Inchi Code

1S/C112H177N29O28S.C2H4O2/c1-12-65(7)93(139-86(144)54-117)110(166)122-59-89(147)128-75(39-25-29-46-115)100(156)135-81(51-70-33-19-15-20-34-70)105(161)133-79(49-63(3)4)104(160)136-83(53-72-55-118-62-123-72)106(162)137-84(60-142)108(164)124-67(9)95(151)119-56-87(145)127-74(38-24-28-45-114)99(155)134-80(50-69-31-17-14-18-32-69)97(153)120-57-88(146)126-73(37-23-27-44-113)98(154)125-68(10)96(152)132-82(52-71-35-21-16-22-36-71)107(163)140-92(64(5)6)109(165)121-58-90(148)129-77(41-42-91(149)150)103(159)141-94(66(8)13-2)111(167)131-78(43-48-170-11)102(158)130-76(40-26-30-47-116)101(157)138-85(61-143)112(168)169;1-2(3)4/h14-22,31-36,55,62-68,73-85,92-94,142-143H,12-13,23-30,37-54,56-61,113-117H2,1-11H3,(H,118,123)(H,119,151)(H,120,153)(H,121,165)(H,122,166)(H,124,164)(H,125,154)(H,126,146)(H,127,145)(H,128,147)(H,129,148)(H,130,158)(H,131,167)(H,132,152)(H,133,161)(H,134,155)(H,135,156)(H,136,160)(H,137,162)(H,138,157)(H,139,144)(H,140,163)(H,141,159)(H,149,150)(H,168,169);1H3,(H,3,4)/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-,94-;/m0./s1

InChI key

QDRUVDJCCFJNLZ-WDGXWWQXSA-N