化学生物学
选项
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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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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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氮杂环丁烷-3-基甲醇CAS号 : 95849-02-8 Compound CID : 13400658分子式: C4H9NO 分子量: 87.12IUPAC Name: azetidin-3-ylmethanolSMILES: C1C(CN1)COInChIKey: GNVWVYIAQBJHGV-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2
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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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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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(S)-3-丁烯-1,2-二醇CAS号 : 62214-39-5 Compound CID : 6999958分子式: C4H8O2 分子量: 88.11IUPAC Name: (2S)-but-3-ene-1,2-diolSMILES: C=CC(CO)OInChIKey: ITMIAZBRRZANGB-BYPYZUCNSA-NInChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1
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9-甲基-9 H -芴-9-羰基- 13C氯化物CAS号 : 1072315-89-9 Compound CID : 60200440分子式: C15H11ClO 分子量: 243.69IUPAC Name: 9-methylfluorene-9-carbonyl chlorideSMILES: CC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)ClInChIKey: ZQYOOHGEBHBNTP-UJKGMGNHSA-NInChI: InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3/i14+1
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5-甲基异噁唑-3-甲酰氯CAS号 : 39499-34-8 Compound CID : 2736894分子式: C5H4ClNO2 分子量: 145.5IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chlorideSMILES: CC1=CC(=NO1)C(=O)ClInChIKey: XMVNMWDLOGSUSM-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
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五氟苯基硫代异氰酸酯CAS号 : 35923-79-6 Compound CID : 123452分子式: C7F5NS 分子量: 225.14IUPAC Name: 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzeneSMILES: C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=SInChIKey: NGNKMRBGZPDABE-UHFFFAOYSA-NInChI: InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
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4-甲酰基-1H-吡咯-2-羧酸甲酯CAS号 : 40611-79-8 Compound CID : 640310分子式: C7H7NO3 分子量: 153.1IUPAC Name: methyl 4-formyl-1H-pyrrole-2-carboxylateSMILES: COC(=O)C1=CC(=CN1)C=OInChIKey: MIBDQVZPRVDXQP-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3