小分子和化合物库

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  1. 灭菌唑
    CAS号: 131983-72-7        Compound CID : 6537961
    分子式: C17H20ClN3O        分子量: 317.81
    IUPAC Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES: CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
    InChIKey: PPDBOQMNKNNODG-NTEUORMPSA-N
    InChI: 1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
  2. 胆固醇-5-烯-3β,25-二醇-d6
      规格或纯度 :
    • ≥99 atom% D
    CAS号: 88247-69-2
    分子式: C27H40D6O2        分子量: 408.69
    IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey: INBGSXNNRGWLJU-KHKDDIDZSA-N
    InChI: 1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
  3. β- 酪蛋白 来源牛奶
    CAS号: 9000-71-9        Compound CID : 73995022
    • 种属: 牛(Bovine)
    • Accession #: P02666
    IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-phosphonooxypropylidene]amino]-4-caSee more
    SMILES: CC(C)CC(C(=NC(CCC(=N)O)C(=NC(CC(=O)O)C(=NC(CCCCN)C(=O)O)O)O)O)N=C(C(CCC(=O)O)N=C(C(CC(=O)O)N=C(C(CCC(=O)O)N=C(C(C(C)O)N=C(C(CCC(=N)O)N=C(C(CCC(=N)O)N=C(C(CCC(=N)O)N=C(C(CCC(=O)O)N=C(C(CCC(=O)O)N=C(C(CSee more
    InChIKey: BECPQYXYKAMYBN-UHFFFAOYSA-N
    InChI: 1S/C81H125N22O39P/c1-36(2)31-50(76(132)94-43(15-24-57(87)108)71(127)101-52(34-64(120)121)78(134)98-49(81(137)138)11-7-8-30-82)99-72(128)47(19-28-61(114)115)95-77(133)51(33-63(118)119)100-73(129)48(20-See more
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