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L -谷氨酸-2,3,3,4,4-d5分子式: C5H4D5NO4 分子量: 152.16IUPAC Name: (2S)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-NKXUJHECSA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
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乙酰水杨酸-d4CAS号 : 97781-16-3 Compound CID : 46780045分子式: C9H4D4O4 分子量: 184.18IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-QFFDRWTDSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D
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尼美舒利-d5CAS号 : 1330180-22-7 Compound CID : 71750951分子式: C13H7D5N2O5S 分子量: 313.34IUPAC Name: N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamideSMILES: CS(NC(C=CC([N+]([O-])=O)=C1)=C1OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(=O)=OInChIKey: HYWYRSMBCFDLJT-VIQYUKPQSA-NInChI: InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D
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犬尿酸-d5CAS号 : 350820-13-2分子式: C10H2D5NO3 分子量: 194.20IUPAC Name: 3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OInChIKey: HCZHHEIFKROPDY-RALIUCGRSA-NInChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
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达沙替尼-d8CAS号 : 1132093-70-9 Compound CID : 25226418分子式: C22H18D8ClN7O2S 分子量: 496.05IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-COMRDEPKSA-NInChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
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1-金刚烷-d15-胺CAS号 : 33830-10-3分子式: C10H2D15N 分子量: 166.34IUPAC Name: 2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantan-1-amineSMILES: C1C2CC3CC1CC(C2)(C3)NInChIKey: DKNWSYNQZKUICI-BXSQCBKHSA-NInChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D
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L-亮氨酸-¹³C₆CAS号 : 201740-84-3 Compound CID : 71309640分子式: (13CH3)213CH13CH213CH(NH2)13CO2H 分子量: 137.13IUPAC Name: (2S)-2-amino-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-IQUPZBQQSA-NInChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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L-天冬酰胺-¹³C₄一水合物CAS号 : 286460-82-0分子式: H2N13CO13CH213CH(NH2)13CO2H·H2O 分子量: 154.1SMILES: [H]O[H].N[13C@@H]([13CH2][13C](N)=O)[13C](O)=OInChIKey: RBMGJIZCEWRQES-KFYBRNFPSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i1+1,2+1,3+1,4+1;
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L-谷氨酰胺-¹³C₅CAS号 : 184161-19-1分子式: 13C5H10N2O3 分子量: 151.11IUPAC Name: (2S)-2,5-diamino-5-oxopentanoic acidSMILES: [H][13C@](N)([13CH2][13CH2][13C](N)=O)[13C](O)=OInChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-NInChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
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L-谷氨酸-¹³C₅CAS号 : 55443-55-5 Compound CID : 33032分子式: ¹³C5H9NO4 分子量: 152.09IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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L-酪氨酸-¹³C₉CAS号 : 55443-60-2 Compound CID : 16213583分子式: 4-(HO)13C6H413CH213CH(NH2)13CO2H 分子量: 190.12IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-ZNZHEFIISA-NInChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
