Chem
J-GLOBAL ID：200907047224101933   Nikkaji number：J1.071.056A

Eptifibatide

エプチフィバチド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H51N11O8S2
Molecular formula furigana： C36-H51-N11-O8-S2
Molecular weight： 829.990
InChI： InChI=1S/C36H51N11O8S2/c1-20-23(8-4-5-12-40-36(38)39)43-29(48)11-14-56-57-19-27(32(37)52)46-34(54)28-10-6-13-47(28)35(55)26(15-21-17-42-24-9-3-2-7-22(21)24)45-33(53)25(16-31(50)51)44-30(49)18-41-20/h2-3,7,9,17,23,25-28,41-42H,1,4-6,8,10-16,18-19H2,(H2,37,52)(H,43,48)(H,44,49)(H,45,53)(H,46,54)(H,50,51)(H4,38,39,40)/t23?,25-,26-,27-,28-/m0/s1
InChI key： AEIRRWCJHSMDMZ-DOYOODFSSA-N
SMILES： NC(=N)NCCCCC1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=C)C(=O)N
Systematic name  (3)：
  • N-[(S)-2-[[3-メルカプト(1)プロパノイル]アミノ]-1-メチレン-6-(アミジノアミノ)ヘキシル]-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-NH2
  • 2-[(3R,11S,17S,20S,25aS)-11-(4-カルバムイミドアミドブチル)-3-カルバモイル-20-[(1H-インドール-3-イル)メチル]-12-メチリデン-1,9,15,18,21-ペンタオキソ-ドコサヒドロ-1H-ピロロ[2,1-g]1,2-ジチア-5,8,11,14,17,20-ヘキサアザシクロトリコサン-17-イル]酢酸
  • 2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-[(1H-indol-3-yl)methyl]-12-methylidene-1,9,15,18,21-pentaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid
Other name (3)：
  • N-[(S)-2-[[3-Mercapto(1)propanoyl]amino]-1-methylene-6-(amidinoamino)hexyl]-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-NH2
  • エプチフィバチド
  • Eptifibatide
Application (1)：
platelet aggregation inhibitor
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