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Molecular weight: 757.74
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Iso. SMILES:
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CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O[C@@H](C5=CC(=C(C=C5)O)O)C(=O)O)/C6=CN=C(S6)N)SC3)C(=O)O)C(=O)O
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InChI Key:
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PBJHSJKHPMHQSC-HTAGMMKPSA-N
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Can. SMILES:
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CC1=NC2=NC(=NN2C(=C1)SCC3=C(C(=O)O)N4C(=O)[C@H]([C@H]4SC3)NC(=O)/C(=N\O[C@@H](C5=CC=C(C(=C5)O)O)C(=O)O)/C6=CN=C(N)S6)C(=O)O
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InChI:
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InChI=1S/C28H23N9O11S3/c1-9-4-15(37-28(31-9)33-20(34-37)26(46)47)49-7-11-8-50-23-17(22(41)36(23)18(11)24(42)43)32-21(40)16(14-6-30-27(29)51-14)35-48-19(25(44)45)10-2-3-12(38)13(39)5-10/h2-6,17,19,23,38-39H,7-8H2,1H3,(H2,29,30)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16-/t17-,19+,23-/m1/s1
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