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小分子和化合物库
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L-异亮氨酸-15NCAS号: 59935-30-7分子式: C6H1315NO2 分子量: 132.17IUPAC Name: (2S,3S)-2-(15N)azanyl-3-methylpentanoic acidSMILES: CCC(C)C(C(=O)O)NInChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-NInChI: 1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1
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L-丙氨酸-15NCAS号: 25713-23-9分子式: C3H715NO2 分子量: 90.09IUPAC Name: (2S)-2-(15N)azanylpropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GZPBOPPUSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i4+1
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α-L-天冬酰胺-15N 一水合物CAS号: 204451-47-8分子式: C4H815NNO3· H2O 分子量: 151.13IUPAC Name: 2,4-diamino-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-UHFFFAOYSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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氨苄西林 三水合物CAS号: 7177-48-2分子式: C16H19N3O4S·3H2O 分子量: 403.45IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.OInChIKey: RXDALBZNGVATNY-CWLIKTDRSA-NInChI: 1S/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
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