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Molecular weight: 752.22
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Iso. SMILES:
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CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]
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InChI Key:
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DBPPRLRVDVJOCL-FQRUVTKNSA-N
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Can. SMILES:
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CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H]2C(=O)N3C(=C(C[N+]4(CCCC4)CCNC(=O)C5=CC=C(C(=C5Cl)O)O)CS[C@H]23)C(=O)[O-]
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InChI:
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InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1
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