P3S
Summary
| Name: | L-METHIONINE-S-SULFOXIMINE PHOSPHATE |
| Formula: | C5 H13 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 260.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(S-methyl-N-phosphono-sulfonimidoyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H13N2O6PS/c1-15(13,7-14(10,11)12)3-2-4(6)5(8)9/h4H,2-3,6H2,1H3,(H,8,9)(H2,10,11,12)/t4-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | QQFOFBSCSWFFPB-NMAPHRJESA-N |
