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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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芸苔素唑CAS号: 224047-41-0分子式: C18H18ClN3O 分子量: 327.81IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-olSMILES: CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)OInChIKey: YULDTPKHZNKFEY-UHFFFAOYSA-NInChI: 1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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