KKD
Summary
Name: | N-acetyl-L-aspartic acid |
Formula: | C6 H9 N O5 |
Formal charge: | 0 |
Formula weight: | 175.139 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-acetyl-L-aspartic acid |
OpenEye OEToolkits | 2.0.6 | (2~{S})-2-acetamidobutanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(C)=O)C(C(=O)O)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | OTCCIMWXFLJLIA-BYPYZUCNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CC(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N[CH](CC(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H](CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(CC(=O)O)C(=O)O |