ELL
Summary
| Name: | (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal |
| Formula: | C7 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 156.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | SWYZRJLGDPTHSU-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCNC1=O)C=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCNC1=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)[C@@H]1C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)C1CC(C=O)N |
