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Molecular weight: 628.64
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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=CC5=CC(=C(C=C5C=C4)O)O)C(=O)[O-]
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InChI Key:
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XMOLQYFYIRKUAY-PLEZTBHSSA-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=CC=C5C=C(C(=CC5=C4)O)O)CS[C@H]23)C(=O)[O-]
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InChI:
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InChI=1S/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/b30-17+/t18-,22-/m1/s1
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