PRD_000312
Summary
| Name: | N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide |
| Synonyms: | Morpholino-Leu-homoPhe-FMK |
| Formula: | C22 H32 F N3 O4 |
| Formal charge: | 0 |
| Fomular weight: | 421.506 |
| Component type: | peptide-like |
| Polymer sequences: | MOR, LEU, HPE, CF0 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_000182 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide |
| OpenEye OEToolkits | 1.7.0 | N-[(2S)-1-[[(3S)-1-fluoro-2-oxo-5-phenyl-pentan-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]morpholine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NC(C(=O)CF)CCc1ccccc1)CC(C)C)N2CCOCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc2ccccc2)C(=O)CF |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)N1CCOCC1)C(=O)N[CH](CCc2ccccc2)C(=O)CF |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | DKMMRKMNRYVVBC-OALUTQOASA-N |
