PSA
Summary
| Name: | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid |
| OpenEye OEToolkits | 1.7.6 | (3S,4S)-4-azanyl-3-oxidanyl-5-phenyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(O)C(N)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | JAJQQUQHMLWDFB-UWVGGRQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(CC(=O)O)O)N |
