VLT
(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
| Created: | 2010-09-24 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 28 |
| Chiral Atom Count | 1 |
| Bond Count | 28 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid |
| Systematic Name (OpenEye OEToolkits) | (E,4S)-4-azanyl-5-(4-hydroxyphenyl)pent-2-enoic acid |
| Formula | C11 H13 N O3 |
| Molecular Weight | 207.226 |
| Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C(N)Cc1ccc(O)cc1 |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O)cc1)C=CC(O)=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C=CC(=O)O)N)O |
| Canonical SMILES | CACTVS | 3.370 | N[C@@H](Cc1ccc(O)cc1)\C=C\C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](/C=C/C(=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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137350124 |














