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SMILES: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OCC(=O)O)/c2csc(n2)N)SC1)C(=O)O.O.O.O Canonical SMILES: C=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OCC(=O)O)/c1csc(n1)N.O.O.O InChI: InChI=1S/C16H15N5O7S2.3H2O/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7;;;/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27);3*1H2/t10-,14-;;;/m1.../s1 InChIKey: IPYWNMVPZOAFOQ-GTUXWKDDSA-N
CBID:157319 http://www.chembase.cn/molecule-157319.html