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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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1-叠氮基-2-(2-(2-乙氧基乙氧基)乙氧基)乙烷CAS号 : 215181-72-9 Compound CID : 15848698分子式: C8H17N3O3 分子量: 203.24IUPAC Name: 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethaneSMILES: CCOCCOCCOCCN=[N+]=[N-]InChIKey: QCKRVSYHRAABCY-UHFFFAOYSA-NInChI: InChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3
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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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钙黄绿素蓝CAS号 : 54375-47-2 Compound CID : 5393133分子式: C15H15NO7 分子量: 321.29IUPAC Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]acetic acidSMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)OInChIKey: RJPSHDMGSVVHFA-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO7/c1-8-4-14(22)23-15-9(8)2-3-11(17)10(15)5-16(6-12(18)19)7-13(20)21/h2-4,17H,5-7H2,1H3,(H,18,19)(H,20,21)
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丹磺酰甘氨酸分子式: C14H16N2O4S 分子量: 308.35IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acidSMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)OInChIKey: QHFXORCWAQTTGH-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
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(S)-3-氨基-5-己炔酸 盐酸盐CAS号 : 332064-85-4 Compound CID : 2761700分子式: C6H9NO2· HCl 分子量: 163.6IUPAC Name: (3S)-3-aminohex-5-ynoic acid;hydrochlorideSMILES: C#CCC(CC(=O)O)N.ClInChIKey: FVKOZZHCHSRKJA-JEDNCBNOSA-NInChI: InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
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钆布醇 一水合物CAS号 : 198637-52-4 Compound CID : 154723961分子式: C18H31GdN4O9•H2O 分子量: 622.74IUPAC Name: 2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);hydrateSMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3]InChIKey: LAKUDJWFTFYTQQ-UHFFFAOYSA-KInChI: InChI=1S/C18H34N4O9.Gd.H2O/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;1H2/q;+3;/p-3
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腔肠素CAS号 : 55779-48-1 Compound CID : 135445694分子式: C26H21N3O3 分子量: 423.46IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-olSMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)OInChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-NInChI: InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2
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苄氧基乙醛二甲基乙缩醛CAS号 : 127657-97-0 Compound CID : 7021458分子式: C11H16O3 分子量: 196.24IUPAC Name: 2,2-dimethoxyethoxymethylbenzeneSMILES: COC(COCC1=CC=CC=C1)OCInChIKey: QITBBLPNYKECAZ-UHFFFAOYSA-NInChI: InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
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m-PEG36-叠氮化物CAS号 : 89485-61-0 Compound CID : 51340959分子式: N3CH2CH2(OCH2CH2)nOCH3IUPAC Name: 1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethaneSMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]InChIKey: FXVJBKLBTILMNA-UHFFFAOYSA-NInChI: InChI=1S/C25H51N3O12/c1-29-4-5-31-8-9-33-12-13-35-16-17-37-20-21-39-24-25-40-23-22-38-19-18-36-15-14-34-11-10-32-7-6-30-3-2-27-28-26/h2-25H2,1H3
