小分子和化合物库
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L-组氨酸盐酸盐一水物CAS号: 5934-29-2分子式: C6H9N3O2·HCl·H2O 分子量: 209.63IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](Cc1c[nH]cn1)C(O)=OInChIKey: CMXXUDSWGMGYLZ-XRIGFGBMSA-NInChI: 1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
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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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L -精氨酸 单盐酸盐分子式: C6H14N4O2·HCl 分子量: 210.66IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochlorideSMILES: Cl[H].N[C@@H](CCCNC(N)=N)C(O)=OInChIKey: KWTQSFXGGICVPE-WCCKRBBISA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
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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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精胺 四盐酸盐分子式: C10H26N4·4HCl 分子量: 348.18IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochlorideSMILES: C(CCNCCCN)CNCCCN.Cl.Cl.Cl.ClInChIKey: XLDKUDAXZWHPFH-UHFFFAOYSA-NInChI: 1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
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