TY1
Summary
| Name: | O-tert-butyl-L-tyrosine |
| Formula: | C13 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 237.295 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-tert-butyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[C@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | SNZIFNXFAFKRKT-NSHDSACASA-N |
