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L-刀豆氨酸硫酸盐分子式: C5H12N4O3·H2SO4·xH2O 分子量: 274.25(as Anhydrous)IUPAC Name: (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;sulfuric acidSMILES: C(CON=C(N)N)C(C(=O)O)N.OS(=O)(=O)OInChIKey: MVIPJKVMOKFIEV-DFWYDOINSA-NInChI: InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1
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头孢美唑钠CAS号 : 56796-39-5 Compound CID : 23666711分子式: C15H16N7NaO5S3 分子量: 493.51IUPAC Name: sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]InChIKey: BITQGIOJQWZUPL-PBCQUBLHSA-MInChI: InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
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1,3-丙二磺酸二钠CAS号 : 36589-58-9分子式: C3H6Na2O6S2 分子量: 248.17IUPAC Name: disodium;propane-1,3-disulfonateSMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]InChIKey: DKGJFKPIUSHDIT-UHFFFAOYSA-LInChI: InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
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头孢磺吡苄钠盐 水合物CAS号 : 1426397-23-0 Compound CID : 134128779分子式: C₂₂H₁₉N₄NaO₈S₂•xH₂O 分子量: 554.52IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrateSMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.O.[Na+]InChIKey: XTRRFIYXAPRYES-NLFZDHTNSA-MInChI: InChI=1S/C22H20N4O8S2.Na.H2O/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);;1H2/q;+1;/p-1/t15-,17-,21-;;/m1../s1
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1-十六进制-d₃₃-醇CAS号 : 284474-73-3分子式: CD3(CD2)14CD2OH 分子量: 275.64IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecan-1-olSMILES: CCCCCCCCCCCCCCCCOInChIKey: BXWNKGSJHAJOGX-TUWMXWROSA-NInChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
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L-丙氨酸-2,3,3,3-d₄CAS号 : 18806-29-6 Compound CID : 12205373分子式: CD3CD(NH2)CO2H 分子量: 93.12IUPAC Name: (2S)-2-amino-2,3,3,3-tetradeuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-IALWIIEESA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3,2D
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L-苯基-d₅-丙氨酸-2,3,3-d₃CAS号 : 17942-32-4 Compound CID : 13000987分子式: C6D5CD2CD(NH2)CO2H 分子量: 173.24IUPAC Name: (2S)-2-amino-2,3,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-WYMAAGAPSA-NInChI: InChI=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/i1D,2D,3D,4D,5D,6D2,8D
