DX600 TFA
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DX600 TFA

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DX600 TFA is an inhibitor of angiotensin-converting enzyme 2 (ACE2) and does not cross-react with ACE.

Category
Peptide Inhibitors
Catalog number
BAT-016316
Molecular Formula
C123H169F3N32O39S2
Molecular Weight
2841.01
DX600 TFA
IUPAC Name
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(3S,6S,9S,12S,15S,21S,24R,29R,32S,35S,38S,41S)-24-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-32-(4-aminobutyl)-9-(3-carbamimidamidopropyl)-21-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-35,38-bis(1H-indol-3-ylmethyl)-12-(2-methylpropyl)-2,5,8,11,14,20,23,31,34,37,40-undecaoxo-26,27-dithia-1,4,7,10,13,19,22,30,33,36,39-undecazatricyclo[39.3.0.015,19]tetratetracontane-29-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Synonyms
Glycinamide, N-acetylglycyl-L-α-aspartyl-L-tyrosyl-L-seryl-L-histidyl-L-cysteinyl-L-seryl-L-prolyl-L-leucyl-L-arginyl-L-tyrosyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-lysyl-L-cysteinyl-L-threonyl-L-tyrosyl-L-prolyl-L-α-aspartyl-L-prolyl-L-α-glutamylglycylglycyl-, cyclic (6→17)-disulfide, trifluoroacetate salt (1:1); Ac-Gly-Asp-Tyr-Ser-His-Cys-Ser-Pro-Leu-Arg-Tyr-Tyr-Pro-Trp-Trp-Lys-Cys-Thr-Tyr-Pro-Asp-Pro-Glu-Gly-Gly-Gly-NH2.TFA (Disulfide bridge: Cys6-Cys17); N-acetyl-glycyl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-histidyl-L-cysteinyl-L-seryl-L-prolyl-L-leucyl-L-arginyl-L-tyrosyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-lysyl-L-cysteinyl-L-threonyl-L-tyrosyl-L-prolyl-L-alpha-aspartyl-L-prolyl-L-alpha-glutamyl-glycyl-glycyl-glycinamide (6->17)-disulfide trifluoroacetic acid
Related CAS
478188-26-0 (free base)
Purity
≥95%
Sequence
Ac-GDYSHCSPLRYYPWWKCTYPDPEGGG-NH2.TFA (Disulfide bridge: Cys6-Cys17)
Storage
Store at -20°C
Solubility
Soluble in DMSO
InChI
InChI=1S/C141H185N35O40S2.C2HF3O2/c1-72(2)50-93-122(198)157-91(21-11-45-147-141(144)145)120(196)159-94(51-75-26-34-82(181)35-27-75)123(199)165-100(53-77-30-38-84(183)39-31-77)137(213)173-46-13-23-108(173)134(210)164-97(56-80-61-150-89-19-8-6-17-87(80)89)126(202)161-96(55-79-60-149-88-18-7-5-16-86(79)88)125(201)156-90(20-9-10-44-142)121(197)170-106(131(207)172-118(73(3)179)136(212)167-101(54-78-32-40-85(184)41-33-78)138(214)174-47-14-25-110(174)135(211)166-102(59-117(193)194)139(215)175-48-12-22-107(175)132(208)158-92(42-43-115(189)190)119(195)153-65-113(187)152-64-112(186)151-63-111(143)185)70-218-217-69-105(130(206)169-104(68-178)140(216)176-49-15-24-109(176)133(209)163-93)171-127(203)98(57-81-62-146-71-154-81)162-129(205)103(67-177)168-124(200)95(52-76-28-36-83(182)37-29-76)160-128(204)99(58-116(191)192)155-114(188)66-148-74(4)180;3-2(4,5)1(6)7/h5-8,16-19,26-41,60-62,71-73,90-110,118,149-150,177-179,181-184H,9-15,20-25,42-59,63-70,142H2,1-4H3,(H2,143,185)(H,146,154)(H,148,180)(H,151,186)(H,152,187)(H,153,195)(H,155,188)(H,156,201)(H,157,198)(H,158,208)(H,159,196)(H,160,204)(H,161,202)(H,162,205)(H,163,209)(H,164,210)(H,165,199)(H,166,211)(H,167,212)(H,168,200)(H,169,206)(H,170,197)(H,171,203)(H,172,207)(H,189,190)(H,191,192)(H,193,194)(H4,144,145,147);(H,6,7)/t73-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,118+;/m1./s1
InChI Key
OXNRLFLIPDHJEQ-OZZMATMRSA-N
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N3CCCC3C(=O)N1)CO)NC(=O)C(CC4=CNC=N4)NC(=O)C(CO)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C)C(=O)NC(C(C)O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)N7CCCC7C(=O)NC(CC(=O)O)C(=O)N8CCCC8C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCCCN)CC9=CNC1=CC=CC=C19)CC1=CNC2=CC=CC=C21)CC1=CC=C(C=C1)O)CC1=CC=C(C=C1)O)CCCNC(=N)N.C(=O)(C(F)(F)F)O
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