B3Y
Summary
| Name: | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CC(O)=O)Cc1ccc(O)cc1 |
| SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | VUNPIAMEJXBAFP-QMMMGPOBSA-N |
