化学生物学

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  1. 拉贝洛尔
    CAS号 : 36894-69-6        Compound CID : 3869
    分子式: C19H24N2O3        分子量: 328.41
    IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
    SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
    InChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-N
    InChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
  2. Tofogliflozin,抑制剂
    CAS号 : 903565-83-3        Compound CID : 46908929
    分子式: C22H26O6        分子量: 386.444
    IUPAC Name: (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
    SMILES: CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2
    InChIKey: VWVKUNOPTJGDOB-BDHVOXNPSA-N
    InChI: InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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