小分子和化合物库

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  1. 依那普利拉
    CAS号 : 76420-72-9        Compound CID : 5462501
    分子式: C18H28N2O7        分子量: 384.42
    IUPAC Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
    InChIKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N
    InChI: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
  2. Omapatrilat
      规格或纯度 :
    • ≥99%
    CAS号 : 167305-00-2        Compound CID : 656629
    分子式: C19H24N2O4S2        分子量: 408.53
    IUPAC Name: (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
    SMILES: C1CC(N2C(C1)SCCC(C2=O)NC(=O)C(CC3=CC=CC=C3)S)C(=O)O
    InChIKey: LVRLSYPNFFBYCZ-VGWMRTNUSA-N
    InChI: InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
  3. Rentiapril
      规格或纯度 :
    • ≥99%
    CAS号 : 80830-42-8        Compound CID : 71244
    分子式: C13H15NO4S2        分子量: 313.39
    IUPAC Name: (2R,4R)-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
    SMILES: C1C(N(C(S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)O
    InChIKey: BSHDUMDXSRLRBI-JOYOIKCWSA-N
    InChI: InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1
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