Summary
Name: | L-ISO-ASPARTATE |
Formula: | C4 H6 N O4 |
Formal charge: | -1 |
Formula weight: | 132.095 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-amino-3-carboxypropanoate |
OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-hydroxy-4-oxo-butanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)C(N)CC(=O)O |
InChI | InChI | 1.02b | InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1 |
InChIKey | InChI | 1.02b | CKLJMWTZIZZHCS-QKJHDDKEDV |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(O)=O)C([O-])=O |
SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)C([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)[O-])N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)[O-])N)C(=O)O |