小分子和化合物库
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N-BOC-6-溴代己胺CAS号: 142356-33-0 Compound CID : 16211353分子式: C11H22BrNO2 分子量: 280.20IUPAC Name: tert-butyl N-(6-bromohexyl)carbamateSMILES: CC(C)(C)OC(=O)NCCCCCCBrInChIKey: NXQXVXILNVTMNA-UHFFFAOYSA-NInChI: 1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
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Amoxicillin SodiumCAS号: 34642-77-8分子式: C16H18N3O5S.Na 分子量: 387.39IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]InChIKey: BYHDFCISJXIVBV-YWUHCJSESA-MInChI: 1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
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亚氨基二乙酸二叔丁酯CAS号: 85916-13-8分子式: C12H23NO4 分子量: 245.32IUPAC Name: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetateSMILES: CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CInChIKey: SMXMBXPLRFTROI-UHFFFAOYSA-NInChI: 1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
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63 反式-2-(3-氯-5-氟苯基)环丙烷-1-羧酸CAS号: 2227899-38-7 Compound CID : 155905706分子式: C10H8ClFO2 分子量: 214.62IUPAC Name: (1R,2R)-2-(3-chloro-5-fluorophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC(=CC(=C2)Cl)FInChIKey: RNQXIRVGVKKDHI-DTWKUNHWSA-NInChI: 1S/C10H8ClFO2/c11-6-1-5(2-7(12)3-6)8-4-9(8)10(13)14/h1-3,8-9H,4H2,(H,13,14)/t8-,9+/m0/s1
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二十碳五烯酸甲酯CAS号: 2734-47-6分子式: CH3(CH2CH=CH)5(CH2)3CO2CH3 分子量: 316.48IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCInChIKey: QWDCYFDDFPWISL-JEBPEJKESA-NInChI: 1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
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D-亮氨醇CAS号: 53448-09-2分子式: C6H15NO 分子量: 117.19IUPAC Name: (2R)-2-amino-4-methylpentan-1-olSMILES: CC(C)CC(CO)NInChIKey: VPSSPAXIFBTOHY-ZCFIWIBFSA-NInChI: 1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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