Angiotensin-converting Enzyme (ACE)
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QuinaprilatCAS号 : 82768-85-2 Compound CID : 107994分子式: C23H26N2O5 分子量: 410.46IUPAC Name: (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acidSMILES: CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)OInChIKey: FLSLEGPOVLMJMN-YSSFQJQWSA-NInChI: InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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伊里帕特里尔CAS号 : 473289-62-2 Compound CID : 9824131分子式: C22H28N2O5S 分子量: 432.53IUPAC Name: (4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acidSMILES: CC(C)C(C(=O)NC1CC2=CC=CC=C2C3CCCC(N3C1=O)C(=O)O)SC(=O)CInChIKey: FXKFFTMLFPWYFH-RDGPPVDQSA-NInChI: InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1
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依那普利-d5马来酸盐CAS号 : 349554-02-5 Compound CID : 71316326分子式: C24H27D5N2O9 分子量: 497.55IUPAC Name: (Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acidSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O.C(=CC(=O)O)C(=O)OInChIKey: OYFJQPXVCSSHAI-DQNQMXAMSA-NInChI: InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1/i4D,5D,6D,8D,9D;
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依那普利拉d5钠盐CAS号 : 1356922-29-6 Compound CID : 45039129分子式: C18H18D5N2NaO5 分子量: 375.41IUPAC Name: sodium;(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]pyrrolidine-2-carboxylateSMILES: CC(C(=O)N1CCCC1C(=O)[O-])NC(CCC2=CC=CC=C2)C(=O)O.[Na+]InChIKey: DUDLNVUQNQFAHG-GTIWJLBTSA-MInChI: InChI=1S/C18H24N2O5.Na/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1/t12-,14-,15-;/m0./s1/i2D,3D,4D,6D,7D;
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卡托普利-d3CAS号 : 1356383-38-4 Compound CID : 71314500分子式: C9H12NO3SD3 分子量: 220.31IUPAC Name: (2S)-2,5,5-trideuterio-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acidSMILES: CC(CS)C(=O)N1CCCC1C(=O)OInChIKey: FAKRSMQSSFJEIM-SIHDFBQLSA-NInChI: InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i4D2,7D
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卡托普利二硫化物CAS号 : 64806-05-9 Compound CID : 10002934分子式: C18H28N2O6S2 分子量: 432.55IUPAC Name: (2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acidSMILES: CC(CSSCC(C)C(=O)N1CCCC1C(=O)O)C(=O)N2CCCC2C(=O)OInChIKey: ZWKRXBCJAUKDCI-MQYQWHSLSA-NInChI: InChI=1S/C18H28N2O6S2/c1-11(15(21)19-7-3-5-13(19)17(23)24)9-27-28-10-12(2)16(22)20-8-4-6-14(20)18(25)26/h11-14H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,14+/m1/s1
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去甲吡啶分子式: C32H38N2O8 分子量: 578.65IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateSMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OCInChIKey: CVBMAZKKCSYWQR-WCGOZPBSSA-NInChI: InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
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咪达普利拉CAS号 : 89371-44-8 Compound CID : 5464344分子式: C18H23N3O6 分子量: 377.39IUPAC Name: (4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acidSMILES: CC(C(=O)N1C(CN(C1=O)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OInChIKey: VFAVNRVDTAPBNR-UBHSHLNASA-NInChI: InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
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培哚普利CAS号 : 82834-16-0 Compound CID : 107807分子式: C19H32N2O5 分子量: 368.47IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acidSMILES: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OInChIKey: IPVQLZZIHOAWMC-QXKUPLGCSA-NInChI: InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
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氯化花青素-3-桑布双糖苷CAS号 : 33012-73-6 Compound CID : 3084569分子式: C26H29ClO15IUPAC Name: (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;chlorideSMILES: C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]InChIKey: BWHXEGJOYVNGQH-XOBUMVIESA-NInChI: InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
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咪达普利CAS号 : 89371-37-9 Compound CID : 5464343分子式: C20H27N3O6 分子量: 405.4IUPAC Name: (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acidSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)OInChIKey: KLZWOWYOHUKJIG-BPUTZDHNSA-NInChI: InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
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福辛普利CAS号 : 98048-97-6 Compound CID : 55891分子式: C30H46NO7P 分子量: 563.67IUPAC Name: (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acidSMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3InChIKey: BIDNLKIUORFRQP-FKDWWROVSA-NInChI: InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1