ABC11984TR

HIS1-SEMAGLUTIDE IMMINE IMPURITY

On Request

Molecular Formula C₁₈₈H₂₉₁N₄₅O₅₉

Molecular Weight 4126.0000

CAS Number N/A

PubChem CID 176491010 ↗

Purity N/A

Product Type API Impurity

Parent Drug SEMAGLUTIDE

Lead Time 3-4 Weeks

IUPAC Name (3S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51S,54S,81R)-3-(2-((S)-3-(1H-imidazol-4-yl)-2-(methyleneamino)propanamido)-2-methylpropanamido)-54-(((6S,12S,15S,18S,21S,24S,27S,30S,33S)-21-((1H-indol-3-yl)methyl)-1-amino-30-benzyl-27-((S)-sec-butyl)-35-carboxy-6-((carboxymethyl)carbamoyl)-12-(3-guanidinopropyl)-1-imino-18-isobutyl-15-isopropyl-24-methyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazapentatriacontan-33-yl)carbamoyl)-45-(3-amino-3-oxopropyl)-12-benzyl-39-(2-carboxyethyl)-21-(carboxymethyl)-33-(4-hydroxybenzyl)-9,15-bis((R)-1-hydroxyethyl)-18,27,30-tris(hydroxymethyl)-36-isobutyl-24-isopropyl-48,51-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,60,69,78,83-henicosaoxo-62,65,71,74-tetraoxa-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,59,68,77,82-henicosaazanonanonacontane-1,81,99-tricarboxylic acid

🔬 Chemical Identifiers

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CNC=N6)N=C

InChI

InChI=1S/C188H291N45O59/c1-19-106(10)155(181(283)209-109(13)160(262)217-134(87-115-90-201-119-51-41-40-50-118(115)119)170(272)219-130(83-103(4)5)171(273)229-153(104(6)7)179(281)216-121(54-45-73-200-187(192)193)162(264)202-92-142(243)210-120(53-44-72-199-186(190)191)161(263)205-95-152(258)259)231-172(274)132(84-112-46-34-32-35-47-112)220-167(269)126(65-70-150(254)255)215-166(268)122(52-42-43-71-196-145(246)99-291-80-79-290-77-75-198-146(247)100-292-81-78-289-76-74-197-140(241)67-62-127(184(286)287)212-141(242)55-38-30-28-26-24-22-20-21-23-25-27-29-31-39-56-147(248)249)213-159(261)108(12)207-158(260)107(11)208-165(267)125(61-66-139(189)240)211-143(244)93-203-163(265)123(63-68-148(250)251)214-168(270)129(82-102(2)3)218-169(271)131(86-114-57-59-117(239)60-58-114)221-175(277)136(96-234)224-177(279)138(98-236)225-180(282)154(105(8)9)230-174(276)135(89-151(256)257)222-176(278)137(97-235)226-183(285)157(111(15)238)232-173(275)133(85-113-48-36-33-37-49-113)223-182(284)156(110(14)237)228-144(245)94-204-164(266)124(64-69-149(252)253)227-185(288)188(16,17)233-178(280)128(194-18)88-116-91-195-101-206-116/h32-37,40-41,46-51,57-60,90-91,101-111,120-138,153-157,201,234-239H,18-31,38-39,42-45,52-56,61-89,92-100H2,1-17H3,(H2,189,240)(H,195,206)(H,196,246)(H,197,241)(H,198,247)(H,202,264)(H,203,265)(H,204,266)(H,205,263)(H,207,260)(H,208,267)(H,209,283)(H,210,243)(H,211,244)(H,212,242)(H,213,261)(H,214,270)(H,215,268)(H,216,281)(H,217,262)(H,218,271)(H,219,272)(H,220,269)(H,221,277)(H,222,278)(H,223,284)(H,224,279)(H,225,282)(H,226,285)(H,227,288)(H,228,245)(H,229,273)(H,230,276)(H,231,274)(H,232,275)(H,233,280)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,286,287)(H4,190,191,199)(H4,192,193,200)/t106-,107-,108-,109-,110+,111+,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,153-,154-,155-,156-,157-/m0/s1

InChIKey GMAUVNOEFJVLRB-YHRLDQKOSA-N

📝 Synonyms

🔬 Chemical Identifiers

Related Compounds