E9G
Summary
| Name: | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-oxidanylidene-2-[oxidanyl-[(1~{S})-1-phenylethyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(C(C)N(C(=O)C(O)=O)O)c1 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | IRVSUCQNKPWMLV-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N(O)C(=O)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](N(O)C(=O)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)N(C(=O)C(=O)O)O |
