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β-内酰胺酶
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纳夫西林-d₅钠盐CAS号: 1356354-25-0 Compound CID : 71750890分子式: C21H16D5N2O5S・Na 分子量: 441.49IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(1,1,2,2,2-pentadeuterioethoxy)naphthalene-1-carbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]InChIKey: AYAPZOUDXCDGIF-LYVUTDJTSA-MInChI: 1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1/i1D3,4D2;
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舒巴坦匹酯CAS号: 69388-79-0 Compound CID : 9997821分子式: C14H21NO7S 分子量: 347.38IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCOC(=O)C(C)(C)C)CInChIKey: OHPVYKXTRACOSQ-ZJUUUORDSA-NInChI: 1S/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1
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汽巴蓝琼脂糖（蓝胶）CAS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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头孢噻肟钠CAS号: 64485-93-4 EC号: 264-915-9分子式: C16H16N5NaO7S2 分子量: 477.45IUPAC Name: sodium;(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]InChIKey: AZZMGZXNTDTSME-JUZDKLSSSA-MInChI: 1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
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舒洛培南CAS号: 120788-07-0 Compound CID : 9950244分子式: C12H15NO5S3 分子量: 349.45IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidSMILES: CC(C1C2N(C1=O)C(=C(S2)SC3CCS(=O)C3)C(=O)O)OInChIKey: FLSUCZWOEMTFAQ-PRBGKLEPSA-NInChI: 1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1
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IMB-XH1CAS号: 292057-76-2分子式: C19H15N3OS 分子量: 333.41IUPAC Name: 7-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-olSMILES: C1=CC=NC(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4InChIKey: ICJKSTJCIAGPIS-UHFFFAOYSA-NInChI: 1S/C19H15N3OS/c23-19-14(9-8-13-5-3-11-21-17(13)19)18(15-6-4-12-24-15)22-16-7-1-2-10-20-16/h1-12,18,23H,(H,20,22)
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头孢布烯二水合物CAS号: 118081-34-8分子式: C15H18N4O8S2 分子量: 446.46IUPAC Name: (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrateSMILES: C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.OInChIKey: SSWTVBYDDFPFAF-DKOGRLLHSA-NInChI: 1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);2*1H2/b6-1-;;/t10-,13-;;/m1../s1
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Tubastatin ACAS号: 1252003-15-8 Compound CID : 49850262分子式: C20H21N3O2 分子量: 335.4IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamideSMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NOInChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-NInChI: 1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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WT161CAS号: 1206731-57-8 Compound CID : 44601455分子式: C27H30N4O3 分子量: 458.55IUPAC Name: N'-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamideSMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=NNC(=O)CCCCCCC(=O)NOInChIKey: KXWWYFKVBFUVIZ-SGWCAAJKSA-NInChI: 1S/C27H30N4O3/c32-26(15-9-1-2-10-16-27(33)30-34)29-28-21-22-17-19-25(20-18-22)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,17-21,34H,1-2,9-10,15-16H2,(H,29,32)(H,30,33)/b28-21+
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阿维巴坦钠CAS号: 1192491-61-4分子式: C7H10N3O6·Na 分子量: 287.23IUPAC Name: sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfateSMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]InChIKey: RTCIKUMODPANKX-JBUOLDKXSA-MInChI: 1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
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7-氨基头孢烷酸分子式: C10H12N2O5S 分子量: 272.28IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)OInChIKey: HSHGZXNAXBPPDL-HZGVNTEJSA-NInChI: 1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
