| PDB CCD ID: | BFT |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C19 H25 N4 O6 P S |
| InChI: | InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1 |
| InChIKey: | ZVFWYYRSRJTRQB-SUMWQHHRSA-N |
| SMILES: | Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2; O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C; C[CH]([CH](CCO[P](O)(O)=O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O; C[C@@H]([C@@H](CCO[P](O)(O)=O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O |
| Name: | S-BENZOYLTHIAMINE O-MONOPHOSPHATE; BENFOTIAMINE |
| ZINC: | ZINC000038792239 |
Reference: