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SMILES: S1[C@@H](NC(=C(C1)CSc1nnc(s1)C)C(=O)O)[C@@H](C(=O)O)NC(=O)Cn1nnnc1 Canonical SMILES: O=C(N[C@@H]([C@H]1SCC(=C(N1)C(=O)O)CSc1nnc(s1)C)C(=O)O)Cn1cnnn1 InChI: InChI=1S/C14H16N8O5S3/c1-6-18-19-14(30-6)29-4-7-3-28-11(17-9(7)12(24)25)10(13(26)27)16-8(23)2-22-5-15-20-21-22/h5,10-11,17H,2-4H2,1H3,(H,16,23)(H,24,25)(H,26,27)/t10-,11+/m0/s1 InChIKey: VBXQTONROIFXAN-WDEREUQCSA-N
CBID:163891 http://www.chembase.cn/molecule-163891.html