BFB
Summary
| Name: | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE |
| Synonyms: | (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE |
| Formula: | C14 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(1S)-1-carbamoyl-4-[(1Z)-ethanimidoylamino]butyl}benzamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-1-amino-5-(ethanimidoylamino)-1-oxo-pentan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O |
| SMILES | CACTVS | 3.341 | CC(=N)NCCC[CH](NC(=O)c1ccccc1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(C)NCCCC(C(=O)N)NC(=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | LWFFSSMDFWZNNW-LBPRGKRZSA-N |
