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SMILES: CC(C)(C)NC[C@@H](COc1cccc2c1cc([nH]2)C#N)O.CC(C)(C)NC[C@@H](COc1cccc2c1cc([nH]2)C#N)O.C(=C\C(=O)O)/C(=O)O Canonical SMILES: OC(=O)/C=C/C(=O)O.N#Cc1[nH]c2c(c1)c(OC[C@H](CNC(C)(C)C)O)ccc2.N#Cc1[nH]c2c(c1)c(OC[C@H](CNC(C)(C)C)O)ccc2 InChI: InChI=1S/2C16H21N3O2.C4H4O4/c2*1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14;5-3(6)1-2-4(7)8/h2*4-7,12,18-20H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*12-;/m00./s1 InChIKey: ZSBITJKBOWVCCI-SODPCTSLSA-N
CBID:131791 http://www.chembase.cn/molecule-131791.html