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Molecular weight: 705.66
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Iso. SMILES:
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C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O[C@@H](C3=CC(=C(C=C3)O)O)C(=O)O)/C4=CSC(=N4)N)C(=O)[O-])/C=C/CN5C=NC(=CC5=N)N.[Na+]
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InChI Key:
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UYHYRBVGPCDVGT-AIVDZQKASA-M
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Can. SMILES:
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C(=C\C1=C(C(=O)[O-])N2C(=O)[C@H]([C@H]2SC1)NC(=O)/C(=N/O[C@@H](C3=CC=C(C(=C3)O)O)C(=O)O)/C4=CSC(=N4)N)/CN5C=NC(=CC5=N)N.[Na+]
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InChI:
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InChI=1S/C27H25N9O9S2.Na/c28-16-7-17(29)35(10-31-16)5-1-2-12-8-46-24-19(23(40)36(24)20(12)25(41)42)33-22(39)18(13-9-47-27(30)32-13)34-45-21(26(43)44)11-3-4-14(37)15(38)6-11;/h1-4,6-7,9-10,19,21,24,29,37-38H,5,8,28H2,(H2,30,32)(H,33,39)(H,41,42)(H,43,44);/q;+1/p-1/b2-1+,29-17?,34-18+;/t19-,21+,24-;/m1./s1
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