小分子和化合物库
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Nε-乙酰基-L-赖氨酸CAS号: 692-04-6分子式: C8H16N2O3 分子量: 188.23IUPAC Name: (2S)-6-acetamido-2-aminohexanoic acidSMILES: CC(=O)NCCCCC(C(=O)O)NInChIKey: DTERQYGMUDWYAZ-ZETCQYMHSA-NInChI: 1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
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三甲胺 N-氧化物二水合物CAS号: 62637-93-8 Compound CID : 198430分子式: C3H9NO·2H2O 分子量: 111.14IUPAC Name: N,N-dimethylmethanamine oxide;dihydrateSMILES: C[N+](C)(C)[O-].O.OInChIKey: PGFPZGKEDZGJQZ-UHFFFAOYSA-NInChI: 1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2
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普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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