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SMILES: S1[C@H]2N(C(=C(C1)CSc1nnc(s1)C)C(=O)[O-])C(=O)[C@H]2N[13C](=O)[13CH2][15n]1nnnc1.[Na+] Canonical SMILES: O=[13C](N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnc(s1)C)[13CH2][15n]1cnnn1.[Na+] InChI: InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1/i2+1,8+1,21+1; InChIKey: FLKYBGKDCCEQQM-HZAGCXHJSA-M
CBID:163889 http://www.chembase.cn/molecule-163889.html