ABC11994IP

[D-GLU3, DES-HIS]-SEMAGLUTIDE

On Request

Molecular Formula C₁₈₁H₂₈₄N₄₂O₅₈

Molecular Weight 3976.4820

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 (3R,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-amino-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)N)=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/C181H284N42O58/c1-18-102(10)149(174(272)200-105(13)154(252)208-128(86-111-88-193-114-50-40-39-49-113(111)114)164(262)210-124(82-99(4)5)165(263)220-147(100(6)7)172(270)207-116(53-44-72-192-180(185)186)156(254)194-89-136(233)201-115(52-43-71-191-179(183)184)155(253)197-92-146(248)249)222-166(264)126(83-108-45-33-31-34-46-108)211-161(259)121(64-69-144(244)245)206-160(258)117(51-41-42-70-188-139(236)96-280-79-78-279-76-74-190-140(237)97-281-80-77-278-75-73-189-134(231)66-61-122(177(275)276)203-135(232)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-141(238)239)204-153(251)104(12)198-152(250)103(11)199-159(257)120(60-65-133(182)230)202-137(234)90-195-157(255)118(62-67-142(240)241)205-162(260)123(81-98(2)3)209-163(261)125(85-110-56-58-112(229)59-57-110)212-169(267)130(93-224)215-171(269)132(95-226)216-173(271)148(101(8)9)221-168(266)129(87-145(246)247)213-170(268)131(94-225)217-176(274)151(107(15)228)223-167(265)127(84-109-47-35-32-36-48-109)214-175(273)150(106(14)227)219-138(235)91-196-158(256)119(63-68-143(242)243)218-178(277)181(16,17)187/h31-36,39-40,45-50,56-59,88,98-107,115-132,147-151,193,224-229H,18-30,37-38,41-44,51-55,60-87,89-97,187H2,1-17H3,(H2,182,230)(H,188,236)(H,189,231)(H,190,237)(H,194,254)(H,195,255)(H,196,256)(H,197,253)(H,198,250)(H,199,257)(H,200,272)(H,201,233)(H,202,234)(H,203,232)(H,204,251)(H,205,260)(H,206,258)(H,207,270)(H,208,252)(H,209,261)(H,210,262)(H,211,259)(H,212,267)(H,213,268)(H,214,273)(H,215,269)(H,216,271)(H,217,274)(H,218,277)(H,219,235)(H,220,263)(H,221,266)(H,222,264)(H,223,265)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,275,276)(H4,183,184,191)(H4,185,186,192)/t102-,103-,104-,105-,106+,107+,115-,116-,117-,118-,119+,120-,121-,122+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,147-,148-,149-,150-,151-/m0/s1/f/h183,185,188-192,194-223,238,240,242,244,246,248,275H,182,184,186H2

InChIKey PWNYOGOYYVIRJI-WQZFGQSWSA-N

🔬 Chemical Identifiers

Related Compounds