VLT
Summary
| Name: | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid |
| OpenEye OEToolkits | 1.7.0 | (E,4S)-4-azanyl-5-(4-hydroxyphenyl)pent-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C(N)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(O)cc1)\C=C\C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O)cc1)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C=CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZAFPASBXHDOXMD-BSPAPZMXSA-N |
