CYQ
Summary
| Name: | 2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID |
| Synonyms: | S-METHYL PHOSPHOCYSTEINE |
| Formula: | C4 H10 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 215.165 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(phosphonomethyl)-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(phosphonomethylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CSCC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSC[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSC[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)SCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)SCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | IIALWEPLPCANHU-VKHMYHEASA-N |
