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Molecular weight: 728.61
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Iso. SMILES:
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CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CC(=C(C=C4)NS(=O)(=O)CCN)O)C(=O)O.Cl.Cl
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InChI Key:
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MBOSUUFPSTZLRU-MMZRWCAGSA-N
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Can. SMILES:
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CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=C(COC(=O)C4=CC=C(C(=C4)O)NS(=O)(=O)CCN)CS[C@H]23)C(=O)O.Cl.Cl
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InChI:
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InChI=1S/C23H25N7O10S3.2ClH/c1-39-28-15(13-9-42-23(25)26-13)18(32)27-16-19(33)30-17(21(34)35)11(8-41-20(16)30)7-40-22(36)10-2-3-12(14(31)6-10)29-43(37,38)5-4-24;;/h2-3,6,9,16,20,29,31H,4-5,7-8,24H2,1H3,(H2,25,26)(H,27,32)(H,34,35);2*1H/b28-15+;;/t16-,20-;;/m1../s1
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