K0X
Summary
| Name: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide |
| Synonyms: | UNC2541 |
| Formula: | C24 H34 F N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 471.571 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide |
| OpenEye OEToolkits | 2.0.4 | (7~{S})-7-azanyl-~{N}-[(4-fluorophenyl)methyl]-8-oxidanylidene-2,9,16,18,21-pentazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-20-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C(=O)NCc3ccc(cc3)F |
| InChI | InChI | 1.03 | InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | ONIHBIZGUJZDHG-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | N[CH]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNC(=O)c2cnc3nc2NCCCCC(C(=O)NCCCCCCN3)N)F |
