Cobinic acid-acg-triamide, Co-(cyano-|EC)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-|A-D-ribofuranosyl-1H-benzimidazole-|EN3) (9CI)

化合物标识与属性

CAS

26319-38-0

PubChem CID

138756729

SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)O)(C)CC(=O)N)/C)CCC(=O)O)(C)CC(=O)N)C)CC(=O)O)C)O.[C-]#N.[Co+2]

Canonical SMILES

C/C1=C2/[N-][C@H]([C@H](CC(=O)O)[C@@]2(C)CCC(=O)NC[C@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(=O)O)[C@]3(C)CC(N)=O)[C@@H](CCC(=O)O)[C@]2(C)CC(N)=O.[C-]#N.[Co+2]