小分子和化合物库

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  1. Chymostatin
      规格或纯度 :
    • Moligand™
    • ≥95%(a mixture of A, B, C)
    CAS号: 9076-44-2
    分子式: C31H41N7O6        分子量: 607.7
    IUPAC Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
    SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O
    InChIKey: MRXDGVXSWIXTQL-UHFFFAOYSA-N
    InChI: 1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(HSee more
  2. rel-盐酸帕罗西汀-d4
      规格或纯度 :
    • ≥97%,≥98 atom% D
    CAS号: 1217683-35-6        Compound CID : 76973866
    分子式: C19H17D4ClFNO3        分子量: 369.85
    IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;hydrochloride
    SMILES: FC(C([2H])=C1[2H])=C([2H])C([2H])=C1[C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2.Cl
    InChIKey: GELRVIPPMNMYGS-TYPQLLAASA-N
    InChI: 1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1/i1D,2D,3D,4D;
  3. 罗苏伐他汀-d3钠盐
      规格或纯度 :
    • ≥97%,≥98 atom% D
    CAS号: 1279031-70-7        Compound CID : 45359102
    分子式: C22H24D3FN3O6S・Na        分子量: 506.54
    IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
    SMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
    InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-M
    InChI: 1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3See more
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