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小分子和化合物库
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4-(2-羟乙基)-1-哌嗪丙磺酸（HEPPS）CAS号: 16052-06-5 EC号: 240-198-8分子式: C9H20N2O4S 分子量: 252.33IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acidSMILES: C1CN(CCN1CCCS(=O)(=O)O)CCOInChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-NInChI: 1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
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溴化新斯的明CAS号: 114-80-7分子式: C12H19BrN2O2 分子量: 303.2IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromideSMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]InChIKey: LULNWZDBKTWDGK-UHFFFAOYSA-MInChI: 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
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1-萘乙酸钾CAS号: 15165-79-4 Compound CID : 23700091分子式: C12H9KO2 分子量: 224.3IUPAC Name: potassium;2-naphthalen-1-ylacetateSMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]InChIKey: HPQBUYIHTJNBOM-UHFFFAOYSA-MInChI: 1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
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L-磺基丙氨酸 一水合物CAS号: 23537-25-9分子式: HO3SCH2CH(NH2)CO2H·H2O 分子量: 187.17IUPAC Name: (2R)-2-amino-3-sulfopropanoic acid;hydrateSMILES: C(C(C(=O)O)N)S(=O)(=O)O.OInChIKey: PCPIXZZGBZWHJO-DKWTVANSSA-NInChI: 1S/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2/t2-;/m0./s1
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L-半胱氨酸 盐酸盐 一水合物分子式: C3H8ClNO2S.H2O 分子量: 175.63IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](CS)C(O)=OInChIKey: QIJRTFXNRTXDIP-JIZZDEOASA-NInChI: 1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
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N-乙酰基-L-天冬氨酸CAS号: 997-55-7分子式: C6H9NO5 分子量: 175.14IUPAC Name: (2S)-2-acetamidobutanedioic acidSMILES: CC(=O)NC(CC(=O)O)C(=O)OInChIKey: OTCCIMWXFLJLIA-BYPYZUCNSA-NInChI: 1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
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