小分子和化合物库

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  1. L-刀豆氨酸硫酸盐
      规格或纯度 :
    • ≥97%(T)
    CAS号: 2219-31-0        Compound CID : 11957500
    分子式: C5H12N4O3·H2SO4·xH2O        分子量: 274.25(as Anhydrous)
    IUPAC Name: (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;sulfuric acid
    SMILES: C(CON=C(N)N)C(C(=O)O)N.OS(=O)(=O)O
    InChIKey: MVIPJKVMOKFIEV-DFWYDOINSA-N
    InChI: 1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1
  2. 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+
  3. 头孢美唑钠
      规格或纯度 :
    • ≥97%(T)
    CAS号: 56796-39-5        Compound CID : 23666711
    分子式: C15H16N7NaO5S3        分子量: 493.51
    IUPAC Name: sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]
    InChIKey: BITQGIOJQWZUPL-PBCQUBLHSA-M
    InChI: 1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
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