73O
Summary
| Name: | (2~{S})-2-azanyl-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 |
| OpenEye OEToolkits | 2.0.5 | (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | LOOZZTFGSTZNRX-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1CCC(C(=O)O)N)O |
