ABC11907AR

2-OXO-HIS SEMAGLUTIDE

On Request

Molecular Formula C₁₈₇H₂₈₉N₄₅O₆₀

Molecular Weight 4127.6067

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-amino-3-(2-oxo-2H-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](CC1=NC(N=C1)=O)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@@H](C)CC)=O)C)=O

InChI

InChI=1/C187H289N45O60/c1-18-104(10)153(179(282)207-107(13)158(261)216-132(86-113-89-199-118-50-40-39-49-116(113)118)169(272)218-128(82-101(4)5)170(273)228-151(102(6)7)177(280)215-120(53-44-72-198-185(192)193)161(264)200-91-140(242)209-119(52-43-71-197-184(190)191)160(263)203-94-150(257)258)230-171(274)130(83-110-45-33-31-34-46-110)219-166(269)125(64-69-148(253)254)214-165(268)121(51-41-42-70-194-143(245)98-291-79-78-290-76-74-196-144(246)99-292-80-77-289-75-73-195-138(240)66-61-126(182(285)286)211-139(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-145(247)248)212-157(260)106(12)205-156(259)105(11)206-164(267)124(60-65-137(189)239)210-141(243)92-201-162(265)122(62-67-146(249)250)213-167(270)127(81-100(2)3)217-168(271)129(85-112-56-58-115(238)59-57-112)220-174(277)134(95-233)223-176(279)136(97-235)224-178(281)152(103(8)9)229-173(276)133(88-149(255)256)221-175(278)135(96-234)225-181(284)155(109(15)237)231-172(275)131(84-111-47-35-32-36-48-111)222-180(283)154(108(14)236)227-142(244)93-202-163(266)123(63-68-147(251)252)226-183(287)187(16,17)232-159(262)117(188)87-114-90-204-186(288)208-114/h31-36,39-40,45-50,56-59,89-90,100-109,117,119-136,151-155,199,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,245)(H,195,240)(H,196,246)(H,200,264)(H,201,265)(H,202,266)(H,203,263)(H,205,259)(H,206,267)(H,207,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,197)(H4,192,193,198)/t104-,105-,106-,107-,108+,109+,117-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,151-,152-,153-,154-,155-/m0/s1/f/h190,192,194-198,200-203,205-207,209-232,247,249,251,253,255,257,285H,189,191,193H2

InChIKey KLWOVTKKCPLCSH-OTUXWARTSA-N

🔬 Chemical Identifiers

Related Compounds