Edratide

Edratide, an ingenious peptide-based pharmaceutical, fosters a beacon of hope for those grappling with rheumatoid arthritis. By gripping the reins of pro-inflammatory cytokines and quelling the immune response, this therapeutic masterpiece orchestrates an impregnable fortress of immune suppression.

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Edratide(CAS 433922-67-9)

CAT No: R2059

CAS No: 433922-67-9

Synonyms/Alias: Edratide;433922-67-9;Edratide [INN];hCDR1 peptide;UNII-38PLP07BKC;38PLP07BKC;Edratide [USAN:INN:BAN];TV-4710;EDRATIDE [USAN];DTXSID60195840;Glycyl-L-tyrosyl-L-tyrosyl-L-tryptophyl-L-seryl-L-tryptophyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-prolyl-L-prolylglycyl-L-lysylglycyl-L-glutamyl-L-glutamyl-L-tryptophyl-L-isoleucylglycine;L-Glycyl-L-tyrosyl- L-tyrosyl- L-tryptophyl-L-seryl-L-tryptophyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-prolyl-L-prolyl-L-glycyl-L-lysyl-L-glycyl-L-glutamyl-L-glutamyl-L-tryptophyl-L-isoleucyl-L-glycine;edratidum;DTXCID00118331;DB15272;DA-52816;Q27256802;L-GLYCYL-L-TYROSYL-L-TYROSYL-L-TRYPTOPHYL-L-SERYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-ARGINYL-L-GLUTAMINYL-L-PROLYL-L-PROLYL-L-GLYCYL-L-LYSYL-L-GLYCYL-L-GLUTAMYL-L-GLUTAMYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLYCINE;

Chemical Name: (4S)-4-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S,3S)-1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

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M.F/FormulaC111H149N27O28
M.W/Mr.2309.5
SequenceOne Letter Code:GYYWSWIRQPPGKGEEWIG
Three Letter Code:H-Gly-Tyr-Tyr-Trp-Ser-Trp-Ile-Arg-Gln-Pro-Pro-Gly-Lys-Gly-Glu-Glu-Trp-Ile-Gly-OH
AppearanceSolid
InChIInChI=1S/C111H149N27O28/c1-5-59(3)94(107(163)123-57-93(150)151)135-103(159)82(49-64-53-119-72-22-11-8-19-69(64)72)131-99(155)77(38-41-92(148)149)127-98(154)76(37-40-91(146)147)125-89(144)55-121-96(152)74(24-13-14-42-112)124-90(145)56-122-106(162)85-26-16-44-137(85)110(166)86-27-17-45-138(86)109(165)78(36-39-87(114)142)129-97(153)75(25-15-43-117-111(115)116)128-108(164)95(60(4)6-2)136-104(160)83(50-65-54-120-73-23-12-9-20-70(65)73)133-105(161)84(58-139)134-102(158)81(48-63-52-118-71-21-10-7-18-68(63)71)132-101(157)80(47-62-30-34-67(141)35-31-62)130-100(156)79(126-88(143)51-113)46-61-28-32-66(140)33-29-61/h7-12,18-23,28-35,52-54,59-60,74-86,94-95,118-120,139-141H,5-6,13-17,24-27,36-51,55-58,112-113H2,1-4H3,(H2,114,142)(H,121,152)(H,122,162)(H,123,163)(H,124,145)(H,125,144)(H,126,143)(H,127,154)(H,128,164)(H,129,153)(H,130,156)(H,131,155)(H,132,157)(H,133,161)(H,134,158)(H,135,159)(H,136,160)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,117)/t59-,60-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-/m0/s1
InChI KeyVXXZQHUWZSRPAM-CDJUQFLLSA-N
Canonical SMILESCCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CO)NC(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CN
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CN
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