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SMILES: O=C1N2C(=C(CS[C@@H]2[C@@H]1NC(=O)/C(=N/OC)/c1nc(sc1)N)CSc1nc(=O)c(=O)[nH]n1C)C(=O)O Canonical SMILES: CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C InChI: InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/t9-,15-/m1/s1 InChIKey: VAAUVRVFOQPIGI-RFAUZJTJSA-N
CBID:126463 http://www.chembase.cn/molecule-126463.html