小分子和化合物库
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N-(3-羟基辛酰基)-DL-高丝氨酸内酯CAS号: 853799-77-6分子式: C12H21NO4 分子量: 243.302IUPAC Name: 3-hydroxy-N-(2-oxooxolan-3-yl)octanamideSMILES: CCCCCC(CC(=O)NC1CCOC1=O)OInChIKey: XCZVBYOXRSFQBH-UHFFFAOYSA-NInChI: 1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)
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Nifursol-¹⁵N2,d2CAS号: 1246833-64-6分子式: C12H5D2N3¹⁵N2O9 分子量: 369.21IUPAC Name: N-[(E)-(3,4-dideuterio-5-nitrofuran-2-yl)methylideneamino]-2-hydroxy-3,5-dinitro(15N)benzamideSMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OInChIKey: XXUXXCZCUGIGPP-QGMBFAGFSA-NInChI: 1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+/i1D,2D,13+1,14+1
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L-甲硫氨酸-(甲基-¹³C,d₃)CAS号: 73488-65-0分子式: 13CD3SCH2CH2CH(NH2)CO2H 分子量: 153.22IUPAC Name: (2S)-2-amino-4-(trideuterio(113C)methylsulfanyl)butanoic acidSMILES: [2H][13C]([2H])([2H])SCC[C@H](N)C(O)=OInChIKey: FFEARJCKVFRZRR-ZIHWZSJBSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1D3
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L-色氨酸-¹⁵N₂CAS号: 204634-20-8分子式: C11H12N2O2 分子量: 206.21IUPAC Name: (2S)-2-(15N)azanyl-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-BGQAPUEUSA-NInChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i12+1,13+1
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
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