小分子和化合物库

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5 项目

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  1. 组织蛋白酶抑制剂1
      规格或纯度 :
    • ≥99%
    CAS号 : 225120-65-0        Compound CID : 44224135
    分子式: C20H24ClN5O2        分子量: 401.89
    IUPAC Name: 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
    SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C
    InChIKey: MZRVIHRERYCHBL-HNNXBMFYSA-N
    InChI: InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
  2. E-64,半胱氨酸蛋白酶抑制剂
      规格或纯度 :
    • ≥99%
    • protease inhibitor
    CAS号 : 66701-25-5        Compound CID : 123985
    分子式: C15H27N5O5        分子量: 357.41
    IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
    SMILES: CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1C(O1)C(=O)O
    InChIKey: LTLYEAJONXGNFG-DCAQKATOSA-N
    InChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
  3. LHVS
      规格或纯度 :
    • ≥99%
    CAS号 : 170111-28-1        Compound CID : 23648296
    分子式: C28H37N3O5S        分子量: 527.68
    IUPAC Name: N-[(2R)-1-[[(E,3R)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
    SMILES: CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3
    InChIKey: YUMYYTORLYHUFW-ZUDLOMHPSA-N
    InChI: InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1
  4. K777
    CAS号 : 233277-99-1        Compound CID : 9851116
    分子式: C32H38N4O4S        分子量: 574.73
    IUPAC Name: N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
    SMILES: CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4
    InChIKey: RHJLQMVZXQKJKB-FPHSVDBKSA-N
    InChI: InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
  5. KSI-3716
      规格或纯度 :
    • ≥99%
    CAS号 : 1151813-61-4        Compound CID : 44565901
    分子式: C17H11BrCl2N2O2        分子量: 426.09
    IUPAC Name: 3-acetyl-8-bromo-5-chloro-2-(4-chloroanilino)-1H-quinolin-4-one
    SMILES: CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)NC3=CC=C(C=C3)Cl
    InChIKey: URUPDOIKTMCJNA-UHFFFAOYSA-N
    InChI: InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)
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