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Molecular weight: 632.07
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Iso. SMILES:
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CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-].Cl
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InChI Key:
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ZUDLGKOSFNRQKN-RUBGNBDQSA-N
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Can. SMILES:
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CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@@H]2C(=O)N3C(=C(C[N+]4=CC=C(N)N4CCO)CS[C@H]23)C(=O)[O-].Cl
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InChI:
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InChI=1S/C21H25N9O8S2.ClH/c1-21(2,19(36)37)38-26-11(14-25-20(23)40-27-14)15(32)24-12-16(33)30-13(18(34)35)9(8-39-17(12)30)7-28-4-3-10(22)29(28)5-6-31;/h3-4,12,17,22,31H,5-8H2,1-2H3,(H5,23,24,25,27,32,34,35,36,37);1H/b26-11-;/t12-,17-;/m1./s1
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