Lixisenatide (acetate)

Iupac Name

(4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,46S,49S,52S,55S,58S,61S,67S)-4-((3S,6S,9S,12S)-3-((1H-indol-3-yl)methyl)-19-((S)-2-((3S,6S,12S)-13-((S)-2-((S)-2-((3S,6S,9S,12S,15S,18S,21S)-25-amino-6,9,12,15,18-pentakis(4-aminobutyl)-1,4,7,10,13,16,19-heptahydroxy-21-(hydroxy(imino)methyl)-3-(hydroxymethyl)-2,5,8,11,14,17,20-heptaazapentacosa-1,4,7,10,13,16,19-heptaen-1-yl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-1,4,7,10-tetrahydroxy-3,6-bis(hydroxymethyl)-12-methyl-13-oxo-2,5,8,11-tetraazatrideca-1,4,7,10-tetraen-1-yl)pyrrolidin-1-yl)-9-(4-aminobutyl)-1,4,7,10,13,16-hexahydroxy-12-(2-hydroxy-2-iminoethyl)-6-isobutyl-19-oxo-2,5,8,11,14,17-hexaazanonadeca-1,4,7,10,13,16-hexaen-1-yl)-67-((2-(((S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1-hydroxyethylidene)amino)-40-(4-aminobutyl)-10,58-dibenzyl-7-((S)-sec-butyl)-25,28,31-tris(2-carboxyethyl)-49-(carboxymethyl)-16-(3-guanidinopropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66-henicosahydroxy-37-(3-hydroxy-3-iminopropyl)-55,61-bis((R)-1-hydroxyethyl)-43,52-bis(hydroxymethyl)-13,46-diisobutyl-19-isopropyl-22-methyl-34-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65-henicosaazaheptaconta-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65-henicosaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C215H347N61O65S.C2H4O2/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123;1-2(3)4/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231);1H3,(H,3,4)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-;/m0./s1

InChI key

VPSIVNDHXWZQSK-UDBQHKEXSA-N