RefMet Compound Details
MW structure | 52414 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Rifapentine | |
Systematic name | [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl]acetate | |
SMILES | C[C@H]1/C=C/C=C(/C)\C(=O)Nc2c(/C=N/N3CCN(CC3)C3CCCC3)c(c3c(c(c(C)c4c3C(=O)[C@@](C)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]1O)O)OC(=O)C)OC)O4)O)c2O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 876.452076 (neutral) |