9YT
Summary
| Name: | (2~{S})-4-acetamido-2-azanyl-butanoic acid |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-4-acetamido-2-azanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | YLZRFVZUZIJABA-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCC(C(=O)O)N |
