1PA
Summary
| Name: | 4-(carboxymethyl)-L-phenylalanine |
| Synonyms: | p-(carboxymethyl)phenylalanine |
| Formula: | C11 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 223.225 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(carboxymethyl)-L-phenylalanine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-[4-(carboxymethyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(cc1)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(CC(O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(CC(O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C(=O)O)N)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | LJHYWUVYIKCPGU-VIFPVBQESA-N |
