小分子和化合物库
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S)-(-)-2-[(苯氨基)羧氧基]丙酸CAS号: 102936-05-0 Compound CID : 736218分子式: C10H11NO4 分子量: 209.2IUPAC Name: (2S)-2-(phenylcarbamoyloxy)propanoic acidSMILES: CC(C(=O)O)OC(=O)NC1=CC=CC=C1InChIKey: HYIHYWQSOXTJFS-ZETCQYMHSA-NInChI: 1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
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33'-二硝基二苯砜分子式: C12H8N2O6S 分子量: 308.27IUPAC Name: 1-nitro-3-(3-nitrophenyl)sulfonylbenzeneSMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]InChIKey: AKAXCFAQCKRJOT-UHFFFAOYSA-NInChI: 1S/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H
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(S)-泮托拉唑钠CAS号: 160488-53-9 Compound CID : 76958822分子式: C16H14F2N3O4S.Na 分子量: 405.35IUPAC Name: sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-3-ideSMILES: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=C(C=C3)OC(F)F)OC.[Na+]InChIKey: YNWDKZIIWCEDEE-SNYZSRNZSA-NInChI: 1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1/t26-;/m0./s1
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瑞格胺分子式: C23H37N3O5 分子量: 435.57IUPAC Name: (2S)-2-acetamidopentanedioic acid;(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amineSMILES: CC(C)CC(C1=CC=CC=C1N2CCCCC2)N.CC(=O)NC(CCC(=O)O)C(=O)OInChIKey: YPDMBMNFFPWTOV-NXMISADUSA-NInChI: 1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1
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(1S5R)-1-苯基-3-氧杂双环[3.1.0]己烷-2-酮(左米那普仑中间体A)CAS号: 96847-53-9 Compound CID : 10910062分子式: C11H10O2 分子量: 174.19IUPAC Name: (1S,5R)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-oneSMILES: C1C2C1(C(=O)OC2)C3=CC=CC=C3InChIKey: WZGFIZUMKYUMRN-GXSJLCMTSA-NInChI: 1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m0/s1
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叔-丁基 4-(2-(4-溴苯基)乙酰基)哌嗪-1-羧酸酯CAS号: 1007210-75-4 Compound CID : 56737698分子式: C17H23BrN2O3 分子量: 383.28IUPAC Name: tert-butyl 4-[2-(4-bromophenyl)acetyl]piperazine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)BrInChIKey: BPLGDBGOQBEGCU-UHFFFAOYSA-NInChI: 1S/C17H23BrN2O3/c1-17(2,3)23-16(22)20-10-8-19(9-11-20)15(21)12-13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3
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50 反式-2-(4-(叔丁基)苯基)环丙烷-1-羧酸CAS号: 105393-30-4 Compound CID : 841882分子式: C14H18O2 分子量: 218.3IUPAC Name: (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylic acidSMILES: CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)OInChIKey: ANPQFLQUUUWDQU-NWDGAFQWSA-NInChI: 1S/C14H18O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(11)13(15)16/h4-7,11-12H,8H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
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