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小分子和化合物库
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L-丙氨酸-2-¹³CCAS号: 62656-85-3分子式: CH313CH(NH2)CO2H 分子量: 90.09IUPAC Name: (2S)-2-amino(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-JACJRKFSSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i2+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-丝氨酸-1-¹³CCAS号: 81201-84-5分子式: HOCH2CH(NH2)13CO2H 分子量: 106.09IUPAC Name: (2S)-2-amino-3-hydroxy(113C)propanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-NSQKCYGPSA-NInChI: 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i3+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-甲硫氨酸-(甲基-¹³C)CAS号: 49705-26-2分子式: 13CH3SCH2CH2CH(NH2)CO2H 分子量: 150.2IUPAC Name: (2S)-2-amino-4-(113C)methylsulfanylbutanoic acidSMILES: CSCCC(C(=O)O)NInChIKey: FFEARJCKVFRZRR-YWQIHCTDSA-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
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L-精氨酸-¹³C₆盐酸盐CAS号: 201740-91-2分子式: 13C6H14N4O2· HCl 分子量: 216.62IUPAC Name: (2S)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-BJPSCUOKSA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+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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L-酪氨酸-1-¹³CCAS号: 110622-46-3分子式: C9H11NO3 分子量: 182.18IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)(113C)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-DMSOPOIOSA-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/i9+1
