化学生物学
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(R)-2-(Boc-氨基)-5-己炔酸CAS号 : 1217464-82-8 Compound CID : 71310729分子式: C11H17NO4 分子量: 227.26IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acidSMILES: CC(C)(C)OC(=O)NC(CCC#C)C(=O)OInChIKey: DPHIBCOGEUVKGB-MRVPVSSYSA-NInChI: InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
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2,3-二氯苯磺酰氟CAS号 : 98566-97-3 Compound CID : 20511722分子式: C6H3Cl2FO2S 分子量: 229.06IUPAC Name: 2,3-dichlorobenzenesulfonyl fluorideSMILES: C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)FInChIKey: FNXHXUGJBKXHFS-UHFFFAOYSA-NInChI: InChI=1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H
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4-氟-2-甲基苯磺酰氟CAS号 : 154641-99-3 Compound CID : 57430803分子式: C7H6F2O2S 分子量: 192.18IUPAC Name: 4-fluoro-2-methylbenzenesulfonyl fluorideSMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)FInChIKey: XWDHWUDZLAQVEN-UHFFFAOYSA-NInChI: InChI=1S/C7H6F2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3
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5-溴-2-噻吩磺酰氟CAS号 : 108158-00-5 Compound CID : 82294545分子式: C4H2BrFO2S2 分子量: 245.09IUPAC Name: 5-bromothiophene-2-sulfonyl fluorideSMILES: C1=C(SC(=C1)Br)S(=O)(=O)FInChIKey: YZLKSNCDWSSCNL-UHFFFAOYSA-NInChI: InChI=1S/C4H2BrFO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
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钙黄绿素乙酰氧基甲酯CAS号 : 148504-34-1 Compound CID : 390986分子式: C46H46N2O23 分子量: 994.87IUPAC Name: acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetateSMILES: CC(=O)OCOC(=O)CN(CC1=CC2=C(C=C1OC(=O)C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)OC(=O)C)CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)CInChIKey: BQRGNLJZBFXNCZ-UHFFFAOYSA-NInChI: InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3
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1-(2-均三甲苯磺酰基)咪唑CAS号 : 50257-39-1 Compound CID : 99556分子式: C12H14N2O2S 分子量: 250.32IUPAC Name: 1-(2,4,6-trimethylphenyl)sulfonylimidazoleSMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CN=C2)CInChIKey: XFHVQSPNDDOABS-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3
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( R )-α,α-双[3,5-双(三氟甲基)苯基] -2-吡咯烷甲醇叔丁基丁基二甲基甲硅烷基醚CAS号 : 1146629-74-4 Compound CID : 60203151分子式: C27H29F12NOSi 分子量: 639.59IUPAC Name: [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilaneSMILES: CC(C)(C)[Si](C)(C)OC(C1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FInChIKey: ZLULOCHUEDLXQY-OAQYLSRUSA-NInChI: InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1
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1,1,2,2-四氢全氟碘代十二烷分子式: CF3(CF2)9CH2CH2I 分子量: 674.03IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecaneSMILES: C(CI)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: HVWXRMINOYZYCK-UHFFFAOYSA-NInChI: InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
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N-Ts-亮氨酸-OH分子式: C13H19NO4S 分子量: 285.36IUPAC Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OInChIKey: DNBHSCLUHQKGMD-LBPRGKRZSA-NInChI: InChI=1S/C13H19NO4S/c1-9(2)8-12(13(15)16)14-19(17,18)11-6-4-10(3)5-7-11/h4-7,9,12,14H,8H2,1-3H3,(H,15,16)/t12-/m0/s1
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Fmoc-谷氨酰胺(Dod)-OHCAS号 : 113534-17-1 Compound CID : 14561589分子式: C35H34N2O7 分子量: 594.65IUPAC Name: (2S)-5-[bis(4-methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acidSMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35InChIKey: LATICJFEOIZOBM-HKBQPEDESA-NInChI: InChI=1S/C35H34N2O7/c1-42-24-15-11-22(12-16-24)33(23-13-17-25(43-2)18-14-23)37-32(38)20-19-31(34(39)40)36-35(41)44-21-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,30-31,33H,19-21H2,1-2H3,(H,36,41)(H,37,38)(H,39,40)/t31-/m0/s1
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(1 R ,2 R )-反式-N -Boc-2-氨基环己醇CAS号 : 155975-19-2 Compound CID : 10921888分子式: C11H21NO3 分子量: 215.29IUPAC Name: tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamateSMILES: CC(C)(C)OC(=O)NC1CCCCC1OInChIKey: XVROWZPERFUOCE-RKDXNWHRSA-NInChI: InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1