005
Summary
| Name: | (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-3-azanyl-2-hydroxy-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(N)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(C(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | LDSJMFGYNFIFRK-IUCAKERBSA-N |
