ABC11967RT

ENDO-HIS1-SEMAGLUTIDE

On Request

Molecular Formula C₁₉₃H₂₉₈N₄₈O₆₀

Molecular Weight 4250.7651

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)-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)-3-(2-((S)-2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)-3-(1H-imidazol-4-yl)propanamido)-2-methylpropanamido)-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

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](CCCNC(=N)N)C(NCC(=O)O)=O)=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](CCC(=O)O)NC(=O)[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)NC(C(C)(C)NC([C@H](CC=1N=CNC1)NC([C@H](CC1=CN=CN1)N)=O)=O)=O)=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(CC[C@@H](NC(CCCCCCCCCCCCCCCCC(=O)O)=O)C(=O)O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)[C@@H](C)CC)=O)C)=O

InChI

InChI=1/C193H298N48O60/c1-18-108(10)159(186(292)216-111(13)164(270)224-137(86-117-90-207-123-50-40-39-49-121(117)123)175(281)227-133(82-105(4)5)176(282)237-157(106(6)7)184(290)223-125(53-44-72-206-192(198)199)167(273)208-93-146(251)217-124(52-43-71-205-191(196)197)166(272)211-96-156(266)267)239-177(283)135(83-114-45-33-31-34-46-114)228-172(278)130(64-69-154(262)263)222-171(277)126(51-41-42-70-202-149(254)100-300-79-78-299-76-74-204-150(255)101-301-80-77-298-75-73-203-144(249)66-61-131(189(295)296)219-145(250)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-151(256)257)220-163(269)110(12)214-162(268)109(11)215-170(276)129(60-65-143(195)248)218-147(252)94-209-168(274)127(62-67-152(258)259)221-173(279)132(81-104(2)3)226-174(280)134(85-116-56-58-120(247)59-57-116)229-180(286)140(97-242)232-182(288)142(99-244)233-185(291)158(107(8)9)238-179(285)139(89-155(264)265)230-181(287)141(98-243)234-188(294)161(113(15)246)240-178(284)136(84-115-47-35-32-36-48-115)231-187(293)160(112(14)245)236-148(253)95-210-169(275)128(63-68-153(260)261)235-190(297)193(16,17)241-183(289)138(88-119-92-201-103-213-119)225-165(271)122(194)87-118-91-200-102-212-118/h31-36,39-40,45-50,56-59,90-92,102-113,122,124-142,157-161,207,242-247H,18-30,37-38,41-44,51-55,60-89,93-101,194H2,1-17H3,(H2,195,248)(H,200,212)(H,201,213)(H,202,254)(H,203,249)(H,204,255)(H,208,273)(H,209,274)(H,210,275)(H,211,272)(H,214,268)(H,215,276)(H,216,292)(H,217,251)(H,218,252)(H,219,250)(H,220,269)(H,221,279)(H,222,277)(H,223,290)(H,224,270)(H,225,271)(H,226,280)(H,227,281)(H,228,278)(H,229,286)(H,230,287)(H,231,293)(H,232,288)(H,233,291)(H,234,294)(H,235,297)(H,236,253)(H,237,282)(H,238,285)(H,239,283)(H,240,284)(H,241,289)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,295,296)(H4,196,197,205)(H4,198,199,206)/t108-,109-,110-,111-,112+,113+,122-,124-,125-,126-,127-,128-,129-,130-,131+,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,157-,158-,159-,160-,161-/m0/s1/f/h196,198,201-206,208-212,214-241,256,258,260,262,264,266,295H,195,197,199H2

InChIKey DIQKGEHLUVIAQC-TUBXJMCOSA-N

🔬 Chemical Identifiers

Related Compounds