ABC11999BZ

[TRP2(TBU)]-SEMAGLUTIDE

On Request

Molecular Formula C₁₉₁H₂₉₉N₄₅O₅₉

Molecular Weight 4169.7311

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 (3S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51S,54S,81R)-3-(2-((S)-2-amino-3-(1H-imidazol-4-yl)propanamido)-2-methylpropanamido)-45-(3-amino-3-oxopropyl)-54-(((6R,12R,15R,18R,21S,24S,27S,30S,33S)-1-amino-30-benzyl-27-((S)-sec-butyl)-21-((2-(tert-butyl)-1H-indol-3-yl)methyl)-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)-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

N[C@H](C(=O)NC(C(=O)N[C@@H](CCC(=O)O)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCNC(COCCOCCNC(COCCOCCNC(CC[C@@H](NC(CCCCCCCCCCCCCCCCC(=O)O)=O)C(=O)O)=O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@H](CCCNC(=N)N)C(NCC(=O)O)=O)=O)=O)CCCNC(=N)N)=O)C(C)C)=O)CC(C)C)=O)CC1=C(NC2=CC=CC=C12)C(C)(C)C)=O)C)=O)[C@@H](C)CC)=O)CC1=CC=CC=C1)=O)CCC(=O)O)=O)=O)C)=O)C)=O)CCC(=O)N)=O)=O)CCC(=O)O)=O)CC(C)C)=O)CC1=CC=C(C=C1)O)=O)CO)=O)CO)=O)C(C)C)=O)CC(=O)O)=O)CO)=O)[C@@H](C)O)=O)CC1=CC=CC=C1)=O)[C@@H](C)O)=O)=O)(C)C)CC=1N=CNC1

InChI

InChI=1/C191H299N45O59/c1-21-107(10)156(183(286)211-110(13)162(265)220-135(90-119-118-52-42-43-53-121(118)215-159(119)190(16,17)18)173(276)222-131(85-104(4)5)174(277)232-154(105(6)7)181(284)219-123(56-47-75-203-189(196)197)165(268)204-93-143(246)212-122(55-46-74-202-188(194)195)164(267)207-96-153(261)262)234-175(278)133(86-113-48-36-34-37-49-113)223-170(273)128(67-72-151(257)258)218-169(272)124(54-44-45-73-199-146(249)100-294-82-81-293-79-77-201-147(250)101-295-83-80-292-78-76-200-141(244)69-64-129(186(289)290)214-142(245)57-40-32-30-28-26-24-22-23-25-27-29-31-33-41-58-148(251)252)216-161(264)109(12)209-160(263)108(11)210-168(271)127(63-68-140(193)243)213-144(247)94-205-166(269)125(65-70-149(253)254)217-171(274)130(84-103(2)3)221-172(275)132(88-115-59-61-117(242)62-60-115)224-178(281)137(97-237)227-180(283)139(99-239)228-182(285)155(106(8)9)233-177(280)136(91-152(259)260)225-179(282)138(98-238)229-185(288)158(112(15)241)235-176(279)134(87-114-50-38-35-39-51-114)226-184(287)157(111(14)240)231-145(248)95-206-167(270)126(66-71-150(255)256)230-187(291)191(19,20)236-163(266)120(192)89-116-92-198-102-208-116/h34-39,42-43,48-53,59-62,92,102-112,120,122-139,154-158,215,237-242H,21-33,40-41,44-47,54-58,63-91,93-101,192H2,1-20H3,(H2,193,243)(H,198,208)(H,199,249)(H,200,244)(H,201,250)(H,204,268)(H,205,269)(H,206,270)(H,207,267)(H,209,263)(H,210,271)(H,211,286)(H,212,246)(H,213,247)(H,214,245)(H,216,264)(H,217,274)(H,218,272)(H,219,284)(H,220,265)(H,221,275)(H,222,276)(H,223,273)(H,224,281)(H,225,282)(H,226,287)(H,227,283)(H,228,285)(H,229,288)(H,230,291)(H,231,248)(H,232,277)(H,233,280)(H,234,278)(H,235,279)(H,236,266)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,289,290)(H4,194,195,202)(H4,196,197,203)/t107-,108-,109-,110-,111+,112+,120-,122+,123+,124-,125-,126-,127-,128-,129+,130-,131+,132-,133-,134-,135-,136-,137-,138-,139-,154+,155-,156-,157-,158-/m0/s1/f/h194,196,198-207,209-214,216-236,251,253,255,257,259,261,289H,193,195,197H2

InChIKey UCCMVVXZJFBKCH-IZURNRAVSA-N

🔬 Chemical Identifiers

Related Compounds