Acetyl-Hirudin (54-65) (sulfated)
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Acetyl-Hirudin (54-65) (sulfated)

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Category
Others
Catalog number
BAT-015823
CAS number
125441-00-1
Molecular Formula
C68H95N13O29S
Molecular Weight
1590.62
Acetyl-Hirudin (54-65) (sulfated)
IUPAC Name
2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2-acetamidoacetyl)amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid
Synonyms
Ac-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr(SO3H)-Leu-Gln-OH; acetyl-[tyr(so3h)63]-hirudin fragment 54-65
Purity
95%
Sequence
GDFEEXPEEXLQ
Storage
-20ºC
InChI
InChI=1S/C68H95N13O29S/c1-6-35(4)57(80-61(98)43(22-27-55(91)92)73-58(95)40(19-24-52(85)86)74-63(100)46(30-37-11-8-7-9-12-37)79-65(102)48(32-56(93)94)71-51(84)33-70-36(5)82)67(104)81-28-10-13-49(81)66(103)75-42(21-26-54(89)90)59(96)72-41(20-25-53(87)88)60(97)78-47(31-38-14-16-39(17-15-38)110-111(107,108)109)64(101)77-45(29-34(2)3)62(99)76-44(68(105)106)18-23-50(69)83/h7-9,11-12,14-17,34-35,40-49,57H,6,10,13,18-33H2,1-5H3,(H2,69,83)(H,70,82)(H,71,84)(H,72,96)(H,73,95)(H,74,100)(H,75,103)(H,76,99)(H,77,101)(H,78,97)(H,79,102)(H,80,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,105,106)(H,107,108,109)
InChI Key
XYECDVVWKGPHGI-UHFFFAOYSA-N
Canonical SMILES
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C
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