PAT
Summary
| Name: | ALPHA-PHOSPHONO-TRYPTOPHAN |
| Formula: | C11 H13 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 284.205 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | alpha-phosphono-L-tryptophan |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(1H-indol-3-yl)-2-phosphono-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | QNAXJEGUCRQKDR-UHFFFAOYSA-N |
