7UC
Summary
Name: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid |
Formula: | C6 H11 N O4 |
Formal charge: | 0 |
Formula weight: | 161.156 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1 |
InChIKey | InChI | 1.03 | VRGLRLBEHJTRMK-SCSAIBSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC(O)=O)NCC(O)=O |
SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)NCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](CC(=O)O)NCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(=O)O)NCC(=O)O |