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小分子和化合物库
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DL-丙氨酸-1-¹³CCAS号: 102029-81-2分子式: C213CH7NO2 分子量: 90.09IUPAC Name: 2-amino(113C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-LBPDFUHNSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i3+1
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L-Asparagine-4-¹³C 一水合物CAS号: 286437-12-5分子式: H2N13COCH2CH(NH2)CO2H·H2O 分子量: 151.13IUPAC Name: (2S)-2,4-diamino-4-oxo(413C)butanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-FWGDTYFGSA-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/i3+1;
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L-丙氨酸-1-¹³CCAS号: 21764-56-7分子式: CH3CH(NH2)13CO2H 分子量: 90.09IUPAC Name: (2S)-2-amino(113C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-NSQKCYGPSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i3+1
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L-丙氨酸-3-¹³CCAS号: 65163-25-9分子式: 13CH3CH(NH2)CO2H 分子量: 90.09IUPAC Name: (2S)-2-amino(313C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-IJGDANSWSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1
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L-亮氨酸-1-¹³CCAS号: 74292-94-7分子式: (CH3)2CHCH2CH(NH2)13CO2H 分子量: 132.17IUPAC Name: (2S)-2-amino-4-methyl(113C)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-SANWUMGISA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i6+1
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L-天冬氨酸-1-¹³CCAS号: 81201-97-0分子式: HO2CCH2CH(NH2)13CO2H 分子量: 134.1IUPAC Name: (2S)-2-amino(113C)butanedioic acidSMILES: C(C(C(=O)O)N)C(=O)OInChIKey: CKLJMWTZIZZHCS-GZPBOPPUSA-NInChI: 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1
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L-缬氨酸-1-¹³CCAS号: 81201-85-6分子式: (CH3)2CHCH(NH2)13CO2H 分子量: 118.14IUPAC Name: (2S)-2-amino-3-methyl(113C)butanoic acidSMILES: CC(C)C(C(=O)O)NInChIKey: KZSNJWFQEVHDMF-TXZHAAMZSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
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L-苯丙氨酸-1-¹³CCAS号: 81201-86-7分子式: C6H5CH2CH(NH2)13CO2H 分子量: 166.18IUPAC Name: (2S)-2-amino-3-phenyl(113C)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-DMSOPOIOSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i9+1
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L-苯丙氨酸-3-¹³CCAS号: 136056-02-5分子式: C6H513CH2CH(NH2)CO2H 分子量: 166.18IUPAC Name: (2S)-2-amino-3-phenyl(313C)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-JCNVXSMLSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i6+1
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L-谷氨酸-3-¹³CCAS号: 115473-51-3分子式: HO2CCH213CH2CH(NH2)CO2H 分子量: 148.12IUPAC Name: (2S)-2-amino(313C)pentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-AANACRNLSA-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/i1+1
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丁酸-1-¹³CCAS号: 38765-83-2分子式: CH3(CH2)213CO2H 分子量: 89.10IUPAC Name: (113C)butanoic acidSMILES: CCCC(=O)OInChIKey: FERIUCNNQQJTOY-AZXPZELESA-NInChI: 1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i4+1
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