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Mafosfamide Sodium SaltCAS号: 84211-05-2分子式: C9H18Cl2N2NaO5PS2 分子量: 423.25IUPAC Name: 2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acidSMILES: C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCClInChIKey: PBUUPFTVAPUWDE-UHFFFAOYSA-NInChI: 1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)
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L-亮氨酸-¹³C₆CAS号: 201740-84-3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: 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 EC号: 200-292-1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: 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: 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: 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
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油酸-¹³C₁₈CAS号: 287100-82-7分子式: 13CH3(13CH2)713CH=13CH(13CH2)713CO2H 分子量: 300.33IUPAC Name: (Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-IGBBIXMTSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+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
