158
Summary
| Name: | 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID |
| Formula: | C7 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 205.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-4-oxo-3-[(sulfanylacetyl)amino]pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-4-oxo-3-(2-sulfanylethanoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(NC(=O)CS)CC(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)[C@H](CC(O)=O)NC(=O)CS |
| SMILES | CACTVS | 3.341 | CC(=O)[CH](CC(O)=O)NC(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)[C@H](CC(=O)O)NC(=O)CS |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C(CC(=O)O)NC(=O)CS |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO4S/c1-4(9)5(2-7(11)12)8-6(10)3-13/h5,13H,2-3H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BSLDCFOJAJXQLY-YFKPBYRVSA-N |
