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(S)-反-2-氨基-4-(2-氨基乙氧基)-3-丁烯酸 盐酸盐CAS号 : 55720-26-8分子式: C6H12N2O3 · HCl 分子量: 196.63IUPAC Name: (E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid;hydrochlorideSMILES: C(COC=CC(C(=O)O)N)N.ClInChIKey: ZDCPLYVEFATMJF-BTIOQYSDSA-NInChI: InChI=1S/C6H12N2O3.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h1,3,5H,2,4,7-8H2,(H,9,10);1H/b3-1+;/t5-;/m0./s1
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磷烯醇丙酮酸 环己铵盐CAS号 : 10526-80-4 Compound CID : 82702分子式: C3H4O6P · C6H14N 分子量: 267.22IUPAC Name: cyclohexanamine;2-phosphonooxyprop-2-enoic acidSMILES: C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)NInChIKey: VHFCNZDHPABZJO-UHFFFAOYSA-NInChI: InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)
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2-苯基-5-苯并咪唑磺酸CAS号 : 27503-81-7 Compound CID : 33919分子式: C13H10N2O3S 分子量: 274.29IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acidSMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)OInChIKey: UVCJGUGAGLDPAA-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
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酞磺胺噻唑分子式: C17H13N3O5S2 分子量: 403.43IUPAC Name: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)OInChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-NInChI: InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
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10,12-二十三联炔酸CAS号 : 66990-30-5 Compound CID : 538457分子式: C23H38O2 分子量: 346.56IUPAC Name: tricosa-10,12-diynoic acidSMILES: CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OInChIKey: DIEDVCMBPCRJFQ-UHFFFAOYSA-NInChI: InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)
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盐酸吖啶黄CAS号 : 69235-50-3 Compound CID : 53393742分子式: C27H28Cl4N6 分子量: 578.4IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochlorideSMILES: C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.Cl.Cl.[Cl-]InChIKey: VWXAJKFSYJFBIW-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3.C13H11N3.4ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;4*1H
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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
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L-酪氨酸-(苯基-3,5-d₂)CAS号 : 30811-19-9 Compound CID : 11819702分子式: 4-(HO)C6H2D2CH2CH(NH2)CO2H 分子量: 183.2IUPAC Name: (2S)-2-amino-3-(3,5-dideuterio-4-hydroxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-ZQCIBQAJSA-NInChI: InChI=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/i3D,4D
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L-酪氨酸-(苯基-d₄)CAS号 : 62595-14-6 Compound CID : 10419891分子式: 4-(HO)C6D4CH2CH(NH2)CO2H 分子量: 185.21IUPAC Name: (2S)-2-amino-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-FCDGGRDXSA-NInChI: InChI=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/i1D,2D,3D,4D
