Survodutide

Structural Information

Molecular Formula

C₁₉₂H₂₈₉N₄₇O₆₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C7(CCC7)NC(=O)[C@H](CC8=CNC=N8)N

InChI

InChI=1S/C192H289N47O61/c1-12-103(6)157(186(295)221-122(170(279)227-134(83-113-88-203-119-48-34-33-47-117(113)119)177(286)223-128(77-101(2)3)173(282)219-126(66-70-153(261)262)172(281)232-140(97-242)183(292)210-104(7)160(197)269)51-37-40-75-201-146(252)90-205-147(253)91-206-165(274)138(95-240)215-149(255)93-208-166(275)139(96-241)214-148(254)92-204-144(250)68-64-127(189(298)299)213-145(251)53-31-23-21-19-17-15-13-14-16-18-20-22-24-32-54-151(257)258)237-181(290)132(79-109-43-27-25-28-44-109)226-179(288)136(86-155(265)266)228-168(277)120(49-35-38-73-193)216-162(271)106(9)211-161(270)105(8)212-167(276)123(52-41-76-202-191(198)199)217-171(280)125(65-69-152(259)260)220-178(287)135(85-154(263)264)229-174(283)129(78-102(4)5)222-175(284)130(81-111-55-59-115(247)60-56-111)224-169(278)121(50-36-39-74-194)218-184(293)141(98-243)233-176(285)131(82-112-57-61-116(248)62-58-112)225-180(289)137(87-156(267)268)230-185(294)142(99-244)234-188(297)159(108(11)246)238-182(291)133(80-110-45-29-26-30-46-110)231-187(296)158(107(10)245)236-150(256)94-207-164(273)124(63-67-143(196)249)235-190(300)192(71-42-72-192)239-163(272)118(195)84-114-89-200-100-209-114/h25-30,33-34,43-48,55-62,88-89,100-108,118,120-142,157-159,203,240-248H,12-24,31-32,35-42,49-54,63-87,90-99,193-195H2,1-11H3,(H2,196,249)(H2,197,269)(H,200,209)(H,201,252)(H,204,250)(H,205,253)(H,206,274)(H,207,273)(H,208,275)(H,210,292)(H,211,270)(H,212,276)(H,213,251)(H,214,254)(H,215,255)(H,216,271)(H,217,280)(H,218,293)(H,219,282)(H,220,287)(H,221,295)(H,222,284)(H,223,286)(H,224,278)(H,225,289)(H,226,288)(H,227,279)(H,228,277)(H,229,283)(H,230,294)(H,231,296)(H,232,281)(H,233,285)(H,234,297)(H,235,300)(H,236,256)(H,237,290)(H,238,291)(H,239,272)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,298,299)(H4,198,199,202)/t103-,104+,105-,106-,107+,108+,118-,120-,121-,122+,123-,124-,125-,126+,127?,128+,129-,130+,131-,132-,133-,134+,135-,136-,137-,138+,139+,140+,141-,142-,157-,158-,159-/m0/s1

InChIKey

MEDXQFAHWBMVIM-YIUAJOCSSA-N

Compound name

18-[[4-[[2-[[(2R)-1-[[2-[[(2R)-1-[[2-[[2-[[(5R)-5-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[1-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]cyclobutanecarbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-6-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid

Related CIDs

• CID 168429725
• CID 171378821
• CID 171934786