Bamadutide

Iupac Name

(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-48-((3S,6S,9S,12S)-3-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-19-((S)-2-((3S,6S,12S)-13-((S)-2-((S)-2-((S)-2-((((S)-1,3-dihydroxy-1-iminopropan-2-yl)imino)(hydroxy)methyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-1,4,7,10-tetrahydroxy-3,6-bis(hydroxymethyl)-12-methyl-13-oxo-2,5,8,11-tetraazatrideca-1,4,7,10-tetraen-1-yl)pyrrolidin-1-yl)-1,4,7,10,13,16-hexahydroxy-6-isobutyl-12-methyl-19-oxo-2,5,8,11,14,17-hexaazanonadeca-1,4,7,10,13,16-hexaen-1-yl)-3-(((2S,5S,8S,11S,17S,20R,23S)-23-amino-8-benzyl-1,4,7,10,13,16,19,22-octahydroxy-17-(3-hydroxy-3-iminopropyl)-5,11-bis((R)-1-hydroxyethyl)-2,20-bis(hydroxymethyl)-24-(1H-imidazol-5-yl)-3,6,9,12,15,18,21-heptaazatetracosa-3,6,9,12,15,18,21-heptaen-1-ylidene)amino)-12,27-bis(4-aminobutyl)-42-benzyl-45-((S)-sec-butyl)-18-(4-(((S)-4-carboxy-1-hydroxy-4-((1-hydroxyhexadecylidene)amino)butylidene)amino)butyl)-21-(2-carboxyethyl)-39-(carboxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecahydroxy-15,36-bis(3-hydroxy-3-iminopropyl)-9,24-bis(hydroxymethyl)-6-isobutyl-30,33-dimethyl-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecaazahenpentaconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaenedioic acid

Inchi Code

1S/C200H313N51O63/c1-14-16-17-18-19-20-21-22-23-24-25-26-33-62-153(265)221-130(200(313)314)66-72-152(264)210-78-43-39-57-124(223-176(289)127(65-71-151(207)263)228-174(287)123(56-38-42-77-203)226-189(302)142(101-256)242-181(294)132(84-106(5)6)232-183(296)137(90-161(276)277)236-190(303)144(103-258)244-196(309)164(113(13)260)247-186(299)134(86-115-50-31-28-32-51-115)237-195(308)163(112(12)259)245-156(268)95-214-170(283)125(63-69-149(205)261)227-187(300)140(99-254)239-169(282)119(204)88-117-92-209-104-216-117)175(288)229-128(67-73-158(270)271)179(292)241-141(100-255)188(301)225-122(55-37-41-76-202)173(286)220-109(9)167(280)218-110(10)168(281)222-126(64-70-150(206)262)177(290)235-136(89-160(274)275)184(297)233-133(85-114-48-29-27-30-49-114)185(298)246-162(107(7)15-2)194(307)230-129(68-74-159(272)273)178(291)234-135(87-116-91-211-120-53-35-34-52-118(116)120)182(295)231-131(83-105(3)4)180(293)224-121(54-36-40-75-201)172(285)219-108(8)166(279)213-93-154(266)212-96-157(269)248-79-44-58-145(248)192(305)243-143(102-257)191(304)240-139(98-253)171(284)215-94-155(267)217-111(11)197(310)250-81-46-60-147(250)199(312)251-82-47-61-148(251)198(311)249-80-45-59-146(249)193(306)238-138(97-252)165(208)278/h27-32,34-35,48-53,91-92,104-113,119,121-148,162-164,211,252-260H,14-26,33,36-47,54-90,93-103,201-204H2,1-13H3,(H2,205,261)(H2,206,262)(H2,207,263)(H2,208,278)(H,209,216)(H,210,264)(H,212,266)(H,213,279)(H,214,283)(H,215,284)(H,217,267)(H,218,280)(H,219,285)(H,220,286)(H,221,265)(H,222,281)(H,223,289)(H,224,293)(H,225,301)(H,226,302)(H,227,300)(H,228,287)(H,229,288)(H,230,307)(H,231,295)(H,232,296)(H,233,297)(H,234,291)(H,235,290)(H,236,303)(H,237,308)(H,238,306)(H,239,282)(H,240,304)(H,241,292)(H,242,294)(H,243,305)(H,244,309)(H,245,268)(H,246,298)(H,247,299)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,313,314)/t107-,108-,109-,110-,111-,112+,113+,119-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140+,141-,142-,143-,144-,145-,146-,147-,148-,162-,163-,164-/m0/s1

InChI key

JKAXPDWNZWDLSU-ZDOADQCSSA-N