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代谢酶/蛋白酶

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5 项目

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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. RHC-80267
    CAS号: 83654-05-1        Compound CID : 5063
    分子式: C20H34N4O4        分子量: 394.6
    IUPAC Name: (cyclohexylideneamino) N-[6-[(cyclohexylideneamino)oxycarbonylamino]hexyl]carbamate
    SMILES: C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1
    InChIKey: RXSVYGIGWRDVQC-UHFFFAOYSA-N
    InChI: 1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
  3. DO34
    CAS号: 1848233-58-8        Compound CID : 129188708
    分子式: C26H28F3N5O4        分子量: 531.53
    IUPAC Name: tert-butyl 3-benzyl-4-[4-[4-(trifluoromethoxy)phenyl]triazole-1-carbonyl]piperazine-1-carboxylate
    SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)OC(F)(F)F
    InChIKey: CQGMWUWJVBKTRM-UHFFFAOYSA-N
    InChI: 1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
  4. KT-109
    CAS号: 1402612-55-8        Compound CID : 53364540
    分子式: C27H26N4O        分子量: 422.52
    IUPAC Name: (2-benzylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
    SMILES: C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5
    InChIKey: JKJMWHULJIOKPJ-UHFFFAOYSA-N
    InChI: 1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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