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4-甲基伞型酮基-N-乙酰基-α-D-神经氨酸钠盐(4-MUNANA)CAS号: 76204-02-9分子式: C21H24NNaO11 · xH2O 分子量: 489.41(anhydrous basis)IUPAC Name: sodium;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylateSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-].[Na+]InChIKey: NNNXBDLJYKMDAI-BUIQBYSTSA-MInChI: See more
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O-磷酸基-L-酪氨酸CAS号: 21820-51-9分子式: C9H12NO6P 分子量: 261.17IUPAC Name: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)OInChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-NInChI: 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
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虎杖苷CAS号: 27208-80-6分子式: C20H22O8 分子量: 390.39IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OInChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-NInChI: 1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
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(R)-1-BOC-3-氨甲基吡咯烷CAS号: 199174-29-3分子式: C10H20N2O2 分子量: 200.28IUPAC Name: tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC(C1)CNInChIKey: OGCCBDIYOAFOGK-MRVPVSSYSA-NInChI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1
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(S)-(-)-6,6′-二溴-2,2′-双(甲氧基甲氧基)-1,1′-联萘CAS号: 211560-97-3 Compound CID : 10839989分子式: (CH3OCH2OC10H5Br)2 分子量: 532.22IUPAC Name: 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthaleneSMILES: COCOC1=C(C2=C(C=C1)C=C(C=C2)Br)C3=C(C=CC4=C3C=CC(=C4)Br)OCOCInChIKey: UPLLZDVWXACTEG-UHFFFAOYSA-NInChI: 1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
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5,6-二氨基苯并咪唑酮分子式: C7H8N4O 分子量: 164.16IUPAC Name: 5,6-diamino-1,3-dihydrobenzimidazol-2-oneSMILES: C1=C(C(=CC2=C1NC(=O)N2)N)NInChIKey: BRISYWKBJNSDPL-UHFFFAOYSA-NInChI: 1S/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)
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N-Boc-对苯二胺CAS号: 71026-66-9 EC号: 275-132-7分子式: C11H16N2O2 分子量: 208.26IUPAC Name: tert-butyl N-(4-aminophenyl)carbamateSMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)NInChIKey: WIVYTYZCVWHWSH-UHFFFAOYSA-NInChI: 1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
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4,4'-双(二乙氧基膦酰甲基)联苯CAS号: 17919-34-5分子式: C22H32O6P2 分子量: 454.44IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-[4-(diethoxyphosphorylmethyl)phenyl]benzeneSMILES: CCOP(=O)(CC1=CC=C(C=C1)C2=CC=C(C=C2)CP(=O)(OCC)OCC)OCCInChIKey: DRCOGQJUVZRNSQ-UHFFFAOYSA-NInChI: 1S/C22H32O6P2/c1-5-25-29(23,26-6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30(24,27-7-3)28-8-4/h9-16H,5-8,17-18H2,1-4H3
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N-(叔丁氧羰基)-3,4-二氟-D-苯丙氨酸CAS号: 205445-51-8分子式: C14H17F2NO4 分子量: 301.29IUPAC Name: (2R)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)F)C(=O)OInChIKey: CYAOPVHXASZUDE-LLVKDONJSA-NInChI: 1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
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4,7-双(5-溴-2-噻吩基)-2,1,3-苯并噻二唑CAS号: 288071-87-4分子式: C14H6Br2N2S3 分子量: 458.2IUPAC Name: 4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazoleSMILES: C1=C(C2=NSN=C2C(=C1)C3=CC=C(S3)Br)C4=CC=C(S4)BrInChIKey: ZIIMIGRZSUYQGW-UHFFFAOYSA-NInChI: 1S/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
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