TYO
Summary
| Name: | (4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID |
| Formula: | C9 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 215.203 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,4Z,6E)-2-amino-7-hydroperoxy-4-[(E)-2-hydroxyethenyl]hepta-4,6-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,6E)-2-amino-7-hydroperoxy-4-(2-hydroxyethenyl)hepta-4,6-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC(\C=C\O)=C\C=C\OO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(/C=C/O)=C/C=C/OO)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(C=CO)=CC=COO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=CC=COO)C=CO |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | AMEKAKFJYGGFTQ-BFJUJRPPSA-N |
