小分子和化合物库

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显示第3742个,产品总数42

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  1. (S)-4-AHCP
           Compound CID : 5288598
    IUPAC Name: (2S)-2-amino-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid
    SMILES: OC(=O)[C@H](CC1=CCCCc2c1c(O)no2)N
    InChIKey: HJEPOXZLPHUVFE-ZETCQYMHSA-N
    InChI: InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
  2. ATPO
    CAS号 : 252930-37-3        Compound CID : 4615193
    分子式: C11H19N2O7P        分子量: 322.25
    IUPAC Name: 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid
    SMILES: CC(C)(C)C1=C(C(=NO1)OCP(=O)(O)O)CC(C(=O)O)N
    InChIKey: AGSOOCUNMTYPSE-UHFFFAOYSA-N
    InChI: InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)
  3. IDRA-21
    CAS号 : 163936-78-5        Compound CID : 3688
    IUPAC Name: 7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione
    SMILES: CC1Nc2ccc(cc2S(=O)(=O)N1)Cl
    InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
  4. LY392098
           Compound CID : 9927707
    IUPAC Name: N-{2-[4-(2-fluorophenyl)phenyl]propyl}propane-2-sulfonamide
    SMILES: CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C
    InChIKey: CECANHFDVPUVMI-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3
  5. LY503430
           Compound CID : 9952446
    IUPAC Name: 4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
    SMILES: CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C
    InChIKey: MFJKNXILEXBWNQ-FQEVSTJZSA-N
    InChI: InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1
  6. argiotoxin
    CAS号 : 105029-41-2        Compound CID : 122294
    IUPAC Name: (2S)-N-(5-{[3-({3-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]propyl}amino)propyl]amino}pentyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
    SMILES: NC(=NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N
    InChIKey: FTNICLJXPYLDAH-GOTSBHOMSA-N
    InChI: InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
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