MCG
Summary
| Name: | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE |
| Synonyms: | 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(2S)-2-amino-1-hydroxy-1-oxo-propan-2-yl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)(c1ccc(C(=O)O)cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | C[C](N)(C(O)=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccc(cc1)C(=O)O)(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | DNCAZYRLRMTVSF-JTQLQIEISA-N |
