Summary
| Name: | BETA-HYDROXY ASPARTIC ACID |
| Formula: | C4 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 149.102 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-hydroxy-L-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2-amino-3-hydroxy-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(O)C(=O)O |
| InChI | InChI | 1.02b | InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1/f/h7,9H |
| InChIKey | InChI | 1.02b | YYLQUHNPNCGKJQ-DIZWFQAUDX |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]([C@H](O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]([CH](O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]([C@@H](C(=O)O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)O)(C(=O)O)N |
