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α-甲基-L-脯氨酸CAS号: 42856-71-3分子式: C6H11NO2 分子量: 129.16IUPAC Name: (2S)-2-methylpyrrolidine-2-carboxylic acidSMILES: CC1(CCCN1)C(=O)OInChIKey: LWHHAVWYGIBIEU-LURJTMIESA-NInChI: 1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
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3,5-二溴-L-酪氨酸CAS号: 300-38-9分子式: C9H9Br2NO3 分子量: 338.98IUPAC Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acidSMILES: C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)NInChIKey: COESHZUDRKCEPA-ZETCQYMHSA-NInChI: 1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
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3,5-二碘-L-甲状腺素CAS号: 1041-01-6分子式: C15H13I2NO4 分子量: 525.08IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acidSMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)IInChIKey: ZHSOTLOTTDYIIK-ZDUSSCGKSA-NInChI: 1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
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5-乙酸乙酰氨基-4,7,8-三-O-乙酰基-9-叠氮-3,5,9-三脱氧-2-S-苯基-2-硫-D-丙三氧基-β-D-半乳-2-吡喃壬酮糖甲酯CAS号: 1195053-25-8 Compound CID : 125128932分子式: C26H32N4O12S 分子量: 624.62IUPAC Name: methyl (2R,4S,5R,6R)-4-acetyloxy-5-[(2-acetyloxyacetyl)amino]-6-[(1R,2R)-1,2-diacetyloxy-3-azidopropyl]-2-phenylsulfanyloxane-2-carboxylateSMILES: CC(=O)OCC(=O)NC1C(CC(OC1C(C(CN=[N+]=[N-])OC(=O)C)OC(=O)C)(C(=O)OC)SC2=CC=CC=C2)OC(=O)CInChIKey: YBDMZZOROXIIKI-YJGXBXLCSA-NInChI: See more
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滂酰洋红2B分子式: C19H15N3Na2O9S2 分子量: 539.44IUPAC Name: disodium;5-acetamido-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonateSMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3OC)S(=O)(=O)[O-].[Na+].[Na+]InChIKey: UDMXIGPLHJOQKB-UHFFFAOYSA-LInChI: 1S/C19H17N3O9S2.2Na/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
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磺胺间甲氧嘧啶分子式: C11H12N4O3S 分子量: 280.3IUPAC Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamideSMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: WMPXPUYPYQKQCX-UHFFFAOYSA-NInChI: 1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
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(2S,4R)-1-(叔丁氧基羰基)-4-氟-2-吡咯烷羧酸CAS号: 203866-14-2分子式: C10H16FNO4 分子量: 233.24IUPAC Name: (2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)FInChIKey: YGWZXQOYEBWUTH-RQJHMYQMSA-NInChI: 1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
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N-碘乙酰-N'-(5-磺基-1-萘)乙二胺CAS号: 36930-63-9 EC号: 253-277-7分子式: C14H15IN2O4S 分子量: 434.25IUPAC Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acidSMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CIInChIKey: ZMERMCRYYFRELX-UHFFFAOYSA-NInChI: 1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)
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二氧化硫1-甲基吡咯烷加合物（TIMSO）CAS号: 2098851-56-8 Compound CID : 57446193分子式: C5H11NO2S 分子量: 149.21IUPAC Name: 1-methylpyrrolidin-1-ium-1-sulfinateSMILES: C[N+]1(CCCC1)S(=O)[O-]InChIKey: NOBDUAZLEGTRRZ-UHFFFAOYSA-NInChI: 1S/C5H11NO2S/c1-6(9(7)8)4-2-3-5-6/h2-5H2,1H3
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(-)-来自 Ginkgo biloba 叶的 BilobalideCAS号: 33570-04-6分子式: C15H18O8 分子量: 326.3IUPAC Name: (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trioneSMILES: CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)OInChIKey: MOLPUWBMSBJXER-YDGSQGCISA-NInChI: 1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
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(2S, 3S)-3-(Boc-氨基)-2-甲基-3-(4-氯苯基)丙酸CAS号: 1217457-67-4分子式: C15H20ClNO4 分子量: 313.78IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C(C1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C)C(=O)OInChIKey: NGZGAVAHPCNQJR-CABZTGNLSA-NInChI: 1S/C15H20ClNO4/c1-9(13(18)19)12(10-5-7-11(16)8-6-10)17-14(20)21-15(2,3)4/h5-9,12H,1-4H3,(H,17,20)(H,18,19)/t9-,12-/m0/s1
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