A1L7K
Summary
| Name: | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanoic acid |
| Synonyms: | (S)-2-amino-3-((S)-2-oxopiperidin-3-yl)propanoic acid |
| Formula: | C8 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 186.208 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H14N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h5-6H,1-4,9H2,(H,10,11)(H,12,13)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | OVWKHGGFYXIBGJ-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCCNC1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCCNC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](C(=O)NC1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(C(=O)NC1)CC(C(=O)O)N |
