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L-甲硫氨酸-甲基-d3CAS号 : 13010-53-2 Compound CID : 15556503分子式: CD3SCH2CH2CH(NH2)CO2H 分子量: 152.23IUPAC Name: (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acidSMILES: CSCCC(C(=O)O)NInChIKey: FFEARJCKVFRZRR-OSIBIXDNSA-NInChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
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胃蛋白酶抑制剂CAS号 : 26305-03-3分子式: C34H63N5O9 分子量: 685.89IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acidSMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)OInChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-NInChI: InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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D-葡萄糖-6,6-d2CAS号 : 18991-62-3 Compound CID : 12285871分子式: C6H10D2O6 分子量: 182.168IUPAC Name: (3R,4S,5S,6R)-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-VARZTKRMSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2
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D-葡萄糖-1-dCAS号 : 106032-61-5 Compound CID : 12285889分子式: HOCH2[CHOH]4CDO 分子量: 181.16IUPAC Name: (3R,4S,5S,6R)-2-deuterio-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-QVTRYHEBSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6D
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甘草酸二钾水合物CAS号 : 68797-35-3 Compound CID : 656852分子式: C42H60K2O16·xH2O 分子量: 899.12(as Anhydrous)IUPAC Name: dipotassium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylateSMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[K+].[K+]InChIKey: BIVBRWYINDPWKA-VLQRKCJKSA-LInChI: InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
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DL-苯基-D5-丙氨酸CAS号 : 284664-89-7 Compound CID : 13000995分子式: C9H6D5NO2 分子量: 170.22IUPAC Name: 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-RALIUCGRSA-NInChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1D,2D,3D,4D,5D
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克伦特罗-D9CAS号 : 129138-58-5分子式: C12H9Cl2D9N2O 分子量: 286.24IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanolSMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)OInChIKey: STJMRWALKKWQGH-GQALSZNTSA-NInChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3
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厄洛替尼-d6,盐酸盐CAS号 : 1189953-78-3 Compound CID : 46781490分子式: C22H18D6ClN3O4 分子量: 399.48 + 36.46IUPAC Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochlorideSMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.ClInChIKey: GTTBEUCJPZQMDZ-HVTBMTIBSA-NInChI: InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;
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1,10-菲咯啉-d₈CAS号 : 90412-47-8分子式: C12H8N2 分子量: 188.25IUPAC Name: 2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthrolineSMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1InChIKey: DGEZNRSVGBDHLK-PGRXLJNUSA-NInChI: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
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1,2-丙二醇-d₈CAS号 : 80156-55-4分子式: CD3CD(OD)CD2OD 分子量: 84.14IUPAC Name: 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropaneSMILES: CC(CO)OInChIKey: DNIAPMSPPWPWGF-INOGVRQUSA-NInChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D