8S6
Summary
Name: | (3R)-3-(oxaloamino)butanoic acid |
Formula: | C6 H9 N O5 |
Formal charge: | 0 |
Formula weight: | 175.139 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3R)-3-(oxaloamino)butanoic acid |
OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(carboxycarbonylamino)butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(NC(=O)C(=O)O)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H9NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3H,2H2,1H3,(H,7,10)(H,8,9)(H,11,12)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | ZQWAVKINQMTJSS-GSVOUGTGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC(O)=O)NC(=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)NC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CC(=O)O)NC(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)O)NC(=O)C(=O)O |