TY8
Summary
| Name: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
| Formula: | C9 H11 N O7 |
| Formal charge: | 0 |
| Formula weight: | 245.186 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(2,4-dihydroperoxy-5-hydroxy-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1cc(O)c(OO)cc1OO)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1cc(O)c(OO)cc1OO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1O)OO)OO)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BYMOOYNBSJDHEX-YFKPBYRVSA-N |
