B1B
Summary
| Name: | (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide |
| Formula: | C14 H20 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 313.78 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | GMYGHFKIKOTHED-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)NCc1ccccc1Cl)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)NO)NC(=O)NCc1ccccc1Cl |
