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Molecular weight: 577.04
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Iso. SMILES:
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C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC3=CN=CN3)/C4=CSC(=N4)N)C(=O)O)C[N+]5=CC=CC=C5.[Cl-]
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InChI Key:
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TWWPEDVUDACLOH-NZGAOPNBSA-N
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Can. SMILES:
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C1=CC=[N+](C=C1)CC2=C(C(=O)O)N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OCC4=CN=CN4)/C5=CSC(=N5)N.[Cl-]
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InChI:
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InChI=1S/C22H20N8O5S2.ClH/c23-22-26-14(10-37-22)15(28-35-8-13-6-24-11-25-13)18(31)27-16-19(32)30-17(21(33)34)12(9-36-20(16)30)7-29-4-2-1-3-5-29;/h1-6,10-11,16,20H,7-9H2,(H4-,23,24,25,26,27,31,33,34);1H/b28-15-;/t16-,20-;/m1./s1
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