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血管紧张素转化酶 (ACE)
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盐酸莫西普利CAS号: 82586-52-5分子式: C27H34N2O7·HCl 分子量: 535.03IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochlorideSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.ClInChIKey: JXRAXHBVZQZSIC-JKVLGAQCSA-NInChI: See more
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N-[3-(2-呋喃基)丙烯酰]-L-苯丙氨酰-甘氨酰-甘氨酸CAS号: 64967-39-1分子式: C20H21N3O6 分子量: 399.4IUPAC Name: 2-[[2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acidSMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)NC(=O)C=CC2=CC=CO2InChIKey: ZDLZKMDMBBMJLI-FDMDGMSGSA-NInChI: 1S/C20H21N3O6/c24-17(9-8-15-7-4-10-29-15)23-16(11-14-5-2-1-3-6-14)20(28)22-12-18(25)21-13-19(26)27/h1-10,16H,11-13H2,(H,21,25)(H,22,28)(H,23,24)(H,26,27)/b9-8+/t16-/m0/s1
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贝母辛CAS号: 19773-24-1分子式: C27H41NO3 分子量: 427.625IUPAC Name: See more SMILES: CC1CC2C(C(C3(O2)CCC4C5CC(=O)C6CC(CCC6(C5CC4=C3C)C)O)C)NC1InChIKey: KYELXPJVGNZIGC-GKFGJCLESA-NInChI: See more
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盐酸喹那普利CAS号: 82586-55-8 Compound CID : 54891分子式: C25H30N2O5.HCl 分子量: 474.98IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochlorideSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.ClInChIKey: IBBLRJGOOANPTQ-JKVLGAQCSA-NInChI: 1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1
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雷米普利分子式: C23H32N2O5 分子量: 416.51IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acidSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)OInChIKey: HDACQVRGBOVJII-JBDAPHQKSA-NInChI: 1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
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芥子酸分子式: C11H12O5 分子量: 224.21IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acidSMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OInChIKey: PCMORTLOPMLEFB-ONEGZZNKSA-NInChI: 1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
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芥子酸分子式: C11H12O5 分子量: 224.21IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acidSMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OInChIKey: PCMORTLOPMLEFB-ONEGZZNKSA-NInChI: 1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
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Tyr-Phe,L-酪氨酰-L-苯丙氨酸CAS号: 17355-11-2 Compound CID : 7009600分子式: C18H20N2O4 分子量: 328.36IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NInChIKey: CGWAPUBOXJWXMS-HOTGVXAUSA-NInChI: 1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16-/m0/s1
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熊去氧胆酸（UDCA）分子式: C24H40O4 分子量: 392.57IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
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熊去氧胆酸（UDCA）分子式: C24H40O4 分子量: 392.57IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
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佐芬普利钙CAS号: 81938-43-4 Compound CID : 3033690分子式: C22H22NO4S2 · 0.5Ca 分子量: 448.58IUPAC Name: calcium;(2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylateSMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.[Ca+2]InChIKey: NSYUKKYYVFVMST-LETVYOFWSA-LInChI: 1S/2C22H23NO4S2.Ca/c2*1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;/h2*2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;;+2/p-2/t2*15-,18+,19+;/m11./s1
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孕二烯二酮CAS号: 39025-23-5分子式: C21H28O2 分子量: 312.45IUPAC Name: (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dioneSMILES: CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)CInChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-NInChI: 1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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