ABC11968MH

ENDO-ILE23-SEMAGLUTIDE

On Request

Molecular Formula C₁₈₁H₂₈₀N₄₄O₅₈

Molecular Weight 4000.4642

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)-21-((1H-indol-3-yl)methyl)-1-amino-27-benzyl-32-carboxy-6-((carboxymethyl)carbamoyl)-12-(3-guanidinopropyl)-1-imino-18-isobutyl-15-isopropyl-24-methyl-8,11,14,17,20,23,26,29-octaoxo-2,7,10,13,16,19,22,25,28-nonaazadotriacontan-30-yl)carbamoyl)-3-(2-((S)-2-amino-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](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)N)=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)=O

InChI

InChI=1/C181H280N44O58/c1-98(2)78-124(211-165(265)127(82-109-53-55-112(231)56-54-109)214-170(270)131(92-226)217-172(272)133(94-228)218-174(274)149(101(7)8)223-169(269)130(85-146(248)249)215-171(271)132(93-227)219-176(276)151(106(13)230)224-168(268)128(81-108-44-32-29-33-45-108)216-175(275)150(105(12)229)221-139(237)90-197-159(259)120(60-65-144(244)245)220-178(279)181(14,15)225-155(255)114(182)84-111-87-188-97-199-111)164(264)207-119(59-64-143(242)243)158(258)196-89-138(236)204-121(57-62-134(183)232)160(260)201-102(9)152(252)200-103(10)153(253)206-118(48-38-39-67-189-140(238)95-282-76-75-281-73-71-191-141(239)96-283-77-74-280-72-70-190-135(233)63-58-123(177(277)278)205-136(234)51-34-26-24-22-20-18-16-17-19-21-23-25-27-35-52-142(240)241)161(261)208-122(61-66-145(246)247)162(262)213-126(80-107-42-30-28-31-43-107)163(263)202-104(11)154(254)210-129(83-110-86-194-115-47-37-36-46-113(110)115)166(266)212-125(79-99(3)4)167(267)222-148(100(5)6)173(273)209-117(50-41-69-193-180(186)187)157(257)195-88-137(235)203-116(49-40-68-192-179(184)185)156(256)198-91-147(250)251/h28-33,36-37,42-47,53-56,86-87,97-106,114,116-133,148-151,194,226-231H,16-27,34-35,38-41,48-52,57-85,88-96,182H2,1-15H3,(H2,183,232)(H,188,199)(H,189,238)(H,190,233)(H,191,239)(H,195,257)(H,196,258)(H,197,259)(H,198,256)(H,200,252)(H,201,260)(H,202,263)(H,203,235)(H,204,236)(H,205,234)(H,206,253)(H,207,264)(H,208,261)(H,209,273)(H,210,254)(H,211,265)(H,212,266)(H,213,262)(H,214,270)(H,215,271)(H,216,275)(H,217,272)(H,218,274)(H,219,276)(H,220,279)(H,221,237)(H,222,267)(H,223,269)(H,224,268)(H,225,255)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,277,278)(H4,184,185,192)(H4,186,187,193)/t102-,103-,104-,105+,106+,114-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,148-,149-,150-,151-/m0/s1/f/h184,186,188-193,195-198,200-225,240,242,244,246,248,250,277H,183,185,187H2

InChIKey HBYIOOYUFWSQAZ-CVGVQIMHSA-N

🔬 Chemical Identifiers

Related Compounds