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Reta (GLP-1/GIP/GCG) 20mg

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CID

171390338

CAS

2381089-83-2

InChI

InChI=1S/C221H342N46O68/c1-23-124(11)179(208(322)241-144(83-88-176(291)292)192(306)245-150(105-134-69-75-137(276)76-70-134)196(310)244-148(100-121(5)6)194(308)243-147(99-120(3)4)193(307)240-142(82-87-175(289)290)187(301)230-110-169(282)229-113-173(286)264-92-51-61-161(264)206(320)253-158(116-270)203(317)251-157(115-269)189(303)232-111-170(283)233-128(15)212(326)266-94-53-63-163(266)214(328)267-95-54-64-164(267)213(327)265-93-52-62-162(265)207(321)250-156(114-268)183(226)297)258-200(314)152(103-131-55-41-39-42-56-131)242-185(299)127(14)235-216(331)219(18, 19)262-205(319)145(80-85-166(225)279)237-184(298)126(13)234-190(304)140(60-48-50-90-227-172(285)119-335-98-97-334-96-91-228-167(280)86-81-146(215(329)330)236-168(281)65-45-37-35-33-31-29-27-25-26-28-30-32-34-36-38-46-66-174(287)288)238-191(305)141(59-47-49-89-222)239-198(312)154(107-177(293)294)247-195(309)149(101-122(7)8)256-218(333)221(22, 109-123(9)10)263-211(325)180(125(12)24-2)259-204(318)160(118-272)252-197(311)151(106-135-71-77-138(277)78-72-135)246-199(313)155(108-178(295)296)248-202(316)159(117-271)254-210(324)182(130(17)274)260-201(315)153(104-132-57-43-40-44-58-132)249-209(323)181(129(16)273)257-171(284)112-231-188(302)143(79-84-165(224)278)255-217(332)220(20, 21)261-186(300)139(223)102-133-67-73-136(275)74-68-133/h39-44, 55-58, 67-78, 120-130, 139-164, 179-182, 268-277H, 23-38, 45-54, 59-66, 79-119, 222-223H2, 1-22H3, (H2, 224, 278)(H2, 225, 279)(H2, 226, 297)(H, 227, 285)(H, 228, 280)(H, 229, 282)(H, 230, 301)(H, 231, 302)(H, 232, 303)(H, 233, 283)(H, 234, 304)(H, 235, 331)(H, 236, 281)(H, 237, 298)(H, 238, 305)(H, 239, 312)(H, 240, 307)(H, 241, 322)(H, 242, 299)(H, 243, 308)(H, 244, 310)(H, 245, 306)(H, 246, 313)(H, 247, 309)(H, 248, 316)(H, 249, 323)(H, 250, 321)(H, 251, 317)(H, 252, 311)(H, 253, 320)(H, 254, 324)(H, 255, 332)(H, 256, 333)(H, 257, 284)(H, 258, 314)(H, 259, 318)(H, 260, 315)(H, 261, 300)(H, 262, 319)(H, 263, 325)(H, 287, 288)(H, 289, 290)(H, 291, 292)(H, 293, 294)(H, 295, 296)(H, 329, 330)/t124-, 125-, 126-, 127-, 128-, 129+, 130+, 139-, 140-, 141-, 142-, 143-, 144-, 145-, 146-, 147-, 148-, 149-, 150-, 151-, 152-, 153-, 154-, 155-, 156-, 157-, 158-, 159-, 160-, 161-, 162-, 163-, 164-, 179?, 180?, 181-, 182-, 221+/m0/s1

IUPAC Name

20-[[(1S)-4-[2-[2-[2-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S, 3R)-2-[[(2S)-2-[[(2S, 3R)-2-[[2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]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]-3-methylpentanoyl]amino]-2, 4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-6-[[(2S)-1-[[(2S)-5-amino-1-[[1-[[(2S)-1-[[(2S)-1-[[(3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1, 5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid

Molecular Formula

C221H342N46O68

Molecular Weight

4731

Monoisotopic Mass

4728.4717592

Polar Area

1780

Complexity

11500

XLogP

-6.3

Heavy Atom Count

355

Hydrogen Bond Donor Count

58

Hydrogen Bond Acceptor Count

70

Rotatable Bond Count

159

Physical Appearance

Fine White Lyophilized Powder

Stability

Lyophilized protein is to be stored at -20°C. It is recommended to aliquot the reconstituted (dissolved) protein into several discrete vials in order to avoid repeated freezing and thawing. Reconstituted protein can be stored at 4°C