小分子和化合物库

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  1. 奥利司他
    CAS号: 96829-58-2
    分子式: C29H53NO5        分子量: 495.75
    IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
    SMILES: CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O
    InChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-N
    InChI: 1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
  2. 培高利特
    CAS号: 66104-22-1        Compound CID : 47811
    分子式: C19H26N2S        分子量: 314.49
    IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
    SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC
    InChIKey: YEHCICAEULNIGD-MZMPZRCHSA-N
    InChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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