TOX
Summary
| Name: | 1-hydroperoxy-L-tryptophan |
| Formula: | C11 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.224 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroperoxy-L-tryptophan |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-[1-(dioxidanyl)indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1ccccc1n(OO)c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | STOHYHPMXPRWTJ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1cn(OO)c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1cn(OO)c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cn2OO)CC(C(=O)O)N |
