ELF
Summary
| Name: | (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal |
| Formula: | C8 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 170.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | KTJNEPKTWSUXNN-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCCNC1=O)C=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCCNC1=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](C(=O)NC1)C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(C(=O)NC1)CC(C=O)N |
