1JM
Summary
| Name: | 4-carboxy-N-methyl-D-phenylalanine |
| Formula: | C11 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 223.225 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-carboxy-N-methyl-D-phenylalanine |
| OpenEye OEToolkits | 1.7.6 | 4-[(2R)-2-(methylamino)-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)Cc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | PYGJXCANQONKFD-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@H](Cc1ccc(cc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH](Cc1ccc(cc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(Cc1ccc(cc1)C(=O)O)C(=O)O |
