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SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)N.CC(=O)O Canonical SMILES: O=C(N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C.CC(=O)O InChI: InChI=1S/C21H28N6O4.C2H4O2/c1-12(22)21(31)27-8-4-7-17(27)20(30)25-11-18(28)26-16(19(23)29)9-13-10-24-15-6-3-2-5-14(13)15;1-2(3)4/h2-3,5-6,10,12,16-17,24H,4,7-9,11,22H2,1H3,(H2,23,29)(H,25,30)(H,26,28);1H3,(H,3,4)/t12-,16-,17-;/m0./s1 InChIKey: IWOGCGRUYRSYMO-BZJVTDFFSA-N
CBID:131702 http://www.chembase.cn/molecule-131702.html