ABC11903LO

(OCT-ALPHA-GLU-AEEA-AEEA) SEMAGLUTIDE

On Request

Molecular Formula C₁₈₇H₂₉₁N₄₅O₅₉

Molecular Weight 4113.6235

CAS Number N/A

PubChem CID N/A

Purity N/A

Product Type API Impurity

Parent Drug SEMAGLUTIDE

Lead Time 3-4 Weeks

IUPAC Name (5S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,86S)-20-((1H-indol-3-yl)methyl)-44-(3-amino-3-oxopropyl)-86-(2-((S)-5-amino-6-(1H-imidazol-5-yl)-2-methyl-3,4-dioxohexan-2-yl)hydrazinyl)-29,77-dibenzyl-26-((S)-sec-butyl)-35-((S)-43-carboxy-25-(2-carboxyethyl)-6,15,24,27-tetraoxo-8,11,17,20-tetraoxa-5,14,23,26-tetraazatritetracontyl)-32,50-bis(2-carboxyethyl)-68-(carboxymethyl)-5,11-bis(3-guanidinopropyl)-56-(4-hydroxybenzyl)-74,80-bis((R)-1-hydroxyethyl)-59,62,71-tris(hydroxymethyl)-17,53-diisobutyl-14,65-diisopropyl-23,38,41-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85-octacosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaazanonaoctacontanedioic acid

🔬 Chemical Identifiers

SMILES

N1C=C(C2=CC=CC=C12)C[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(=O)O)=O)CCCNC(=N)N)=O)=O)CCCNC(=N)N)=O)C(C)C)=O)CC(C)C)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@H](CCC(=O)O)NNC(C)(C(C([C@H](CC1=CN=CN1)N)=O)=O)C)=O)=O)[C@@H](C)O)=O)CC1=CC=CC=C1)=O)[C@@H](C)O)=O)CO)=O)CC(=O)O)=O)C(C)C)=O)CO)=O)CO)=O)CC1=CC=C(C=C1)O)=O)CC(C)C)=O)CCC(=O)O)=O)=O)CCC(=O)N)=O)C)=O)C)=O)CCCCNC(COCCOCCNC(COCCOCCNC([C@@H](NC(CCCCCCCCCCCCCCCCC(=O)O)=O)CCC(=O)O)=O)=O)=O)=O)CCC(=O)O)=O)CC1=CC=CC=C1)=O)[C@@H](C)CC)=O)C)=O

InChI

InChI=1/C187H291N45O59/c1-18-105(10)154(182(285)208-108(13)161(264)216-133(86-114-89-200-119-50-40-39-49-117(114)119)172(275)218-129(82-102(4)5)173(276)227-152(103(6)7)180(283)215-121(53-44-72-199-186(192)193)164(267)201-91-140(241)210-120(52-43-71-198-185(190)191)163(266)204-94-151(258)259)229-174(277)131(83-111-45-33-31-34-46-111)219-169(272)126(63-68-148(252)253)214-168(271)122(51-41-42-70-195-143(244)98-290-79-77-288-75-73-196-144(245)99-291-80-78-289-76-74-197-162(265)123(61-66-146(248)249)209-139(240)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-145(246)247)212-160(263)107(12)206-159(262)106(11)207-167(270)125(60-65-138(189)239)211-141(242)92-202-165(268)124(62-67-147(250)251)213-170(273)128(81-101(2)3)217-171(274)130(85-113-56-58-116(238)59-57-113)220-177(280)135(95-233)223-179(282)137(97-235)224-181(284)153(104(8)9)228-176(279)134(88-150(256)257)221-178(281)136(96-234)225-184(287)156(110(15)237)230-175(278)132(84-112-47-35-32-36-48-112)222-183(286)155(109(14)236)226-142(243)93-203-166(269)127(64-69-149(254)255)231-232-187(16,17)158(261)157(260)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,231-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,244)(H,196,245)(H,197,265)(H,201,267)(H,202,268)(H,203,269)(H,204,266)(H,206,262)(H,207,270)(H,208,285)(H,209,240)(H,210,241)(H,211,242)(H,212,263)(H,213,273)(H,214,271)(H,215,283)(H,216,264)(H,217,274)(H,218,275)(H,219,272)(H,220,280)(H,221,281)(H,222,286)(H,223,282)(H,224,284)(H,225,287)(H,226,243)(H,227,276)(H,228,279)(H,229,277)(H,230,278)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1/f/h190,192,195-199,201-230,246,248,250,252,254,256,258H,189,191,193H2

InChIKey XSFOAPXFFKXTAI-CIIFZSTISA-N

🔬 Chemical Identifiers

Related Compounds