Aviptadil (acetate)

Iupac Name

(3S,6S,9S,12S,15S,18S)-18-(((S)-2-(((S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1,3-dihydroxypropylidene)amino)-9-benzyl-5,8,11,14,17-pentahydroxy-6-((R)-1-hydroxyethyl)-12-isopropyl-15-methyl-3-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S)-21,36,39-tris(4-aminobutyl)-54-((S)-sec-butyl)-12,18-bis(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,62-henicosahydroxy-60-(hydroxy(imino)methyl)-3,48-bis(2-hydroxy-2-iminoethyl)-24-(3-hydroxy-3-iminopropyl)-6,42-bis(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-51-(hydroxymethyl)-62-imino-15,45,57-triisobutyl-33-isopropyl-30-methyl-27-(2-(methylthio)ethyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59-icosaazadohexaconta-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-icosaen-1-yl)-4,7,10,13,16-pentaazaicosa-4,7,10,13,16-pentaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C147H238N44O42S.C2H4O2/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83;1-2(3)4/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163);1H3,(H,3,4)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-;/m0./s1

InChI key

ZPFJSONBPCXUTA-JEBDDVQLSA-N