E9J
Summary
| Name: | oxo{[(1S)-1-phenylethyl]amino}acetic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | oxo{[(1S)-1-phenylethyl]amino}acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-oxidanylidene-2-[[(1~{S})-1-phenylethyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(NC(C)c1ccccc1)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | RVIXKSXCAWSWSX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccccc1)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)NC(=O)C(=O)O |
