(2S,3S,4R,5S,6R)-2-methyl-6-[2-(2-{2-[4-({4-[7,12,17-tris({4-[(1-{2-[2-(2-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}ethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenoxy}methyl)-1H-1,2,3-triazol-1-yl]ethoxy}ethoxy)ethoxy]oxane-3,4,5-triol

化合物标识与属性

PubChem CID

102416258

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCOCCOCCN2C=C(N=N2)COC3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C(N7)C(=C8C=CC4=N8)C9=CC=C(C=C9)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)C1=CC=C(C=C1)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)C=C6)C1=CC=C(C=C1)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)N5)O)O)O

Canonical SMILES

C[C@@H]1O[C@@H](OCCOCCOCCn2cc(COc3ccc(-c4c5nc(c(-c6ccc(OCc7cn(CCOCCOCCO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn7)cc6)c6ccc([nH]6)c(-c6ccc(OCc7cn(CCOCCOCCO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn7)cc6)c6nc(c(-c7ccc(OCc8cn(CCOCCOCCO[C@@H]9O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]9O)nn8)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)[C@@H](O)[C@H](O)[C@@H]1O