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β-内酰胺酶
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盐酸依拉环素CAS号: 1334714-66-7分子式: C27H33Cl2FN4O8 分子量: 631.48IUPAC Name: (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrochlorideSMILES: CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F.Cl.ClInChIKey: XIBSSTYDNTVAEU-RZVFYPHASA-NInChI: See more
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哌拉西林CAS号: 61477-96-1 Compound CID : 43672分子式: C23H27N5O7S 分子量: 517.56IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)OInChIKey: IVBHGBMCVLDMKU-GXNBUGAJSA-NInChI: See more
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哌拉西林CAS号: 61477-96-1 Compound CID : 43672分子式: C23H27N5O7S 分子量: 517.56IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)OInChIKey: IVBHGBMCVLDMKU-GXNBUGAJSA-NInChI: See more
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青霉素G钠CAS号: 69-57-8分子式: C16H17N2O4SNa 分子量: 356.37IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Na+]InChIKey: FCPVYOBCFFNJFS-LQDWTQKMSA-MInChI: 1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
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K252C,蛋白激酶C抑制剂CAS号: 85753-43-1分子式: C20H13N3O 分子量: 311.34IUPAC Name: 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-oneSMILES: C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5InChIKey: MEXUTNIFSHFQRG-UHFFFAOYSA-NInChI: 1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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汽巴兰F3GACAS号: 84166-13-2分子式: C29H20ClN7O11S3 分子量: 774.16IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acidSMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)NInChIKey: YKCWQPZFAFZLBI-UHFFFAOYSA-NInChI: See more
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Lalistat 1,LAL抑制剂CAS号: 501104-16-1分子式: C12H18N4O3S 分子量: 298.36IUPAC Name: (4-piperidin-1-yl-1,2,5-thiadiazol-3-yl) morpholine-4-carboxylateSMILES: C1CCN(CC1)C2=NSN=C2OC(=O)N3CCOCC3InChIKey: XAWUWPUYJUOUOF-UHFFFAOYSA-NInChI: 1S/C12H18N4O3S/c17-12(16-6-8-18-9-7-16)19-11-10(13-20-14-11)15-4-2-1-3-5-15/h1-9H2
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BLI 489 HydrateCAS号: 623564-40-9分子式: C13H10N3NaO4S•xH2O 分子量: 327.29IUPAC Name: sodium;(5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylateSMILES: C1COCC2=NC(=CN21)C=C3C4N(C3=O)C(=CS4)C(=O)[O-].[Na+]InChIKey: RFSWVJXWZXQOSW-ZDFSRXSCSA-MInChI: 1S/C13H11N3O4S.Na/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7;/h3-4,6,12H,1-2,5H2,(H,18,19);/q;+1/p-1/b8-3-;/t12-;/m1./s1
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五水头孢他啶CAS号: 78439-06-2分子式: C22H32N6O12S2 分子量: 636.65IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrateSMILES: CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.OInChIKey: NMVPEQXCMGEDNH-NLYPMKEPSA-NInChI: See more
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克拉维酸锂CAS号: 61177-44-4 Compound CID : 23714647分子式: C8H8LiNO5 分子量: 205.09IUPAC Name: lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: [Li+].C1C2N(C1=O)C(C(=CCO)O2)C(=O)[O-]InChIKey: JMRXTGCDVQLAFM-JSYANWSFSA-MInChI: 1S/C8H9NO5.Li/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
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头孢吡胺CAS号: 70797-11-4分子式: C25H24N8O7S2 分子量: 612.64IUPAC Name: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)OInChIKey: PWAUCHMQEXVFJR-PMAPCBKXSA-NInChI: See more
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氯唑西林钠CAS号: 642-78-4分子式: C19H17ClN3NaO5S 分子量: 457.86IUPAC Name: sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]InChIKey: SCLZRKVZRBKZCR-SLINCCQESA-MInChI: 1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1
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