7J3
Summary
| Name: | (2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid |
| Formula: | C9 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 200.235 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-oxidanylidene-4-piperidin-1-yl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC(=O)N1CCCCC1)(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | DFQJEDOASBZINA-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)N1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(=O)N1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCN(CC1)C(=O)CC(C(=O)O)N |
