P2S
Summary
| Name: | (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID |
| Synonyms: | N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID |
| Formula: | C9 H19 N2 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 346.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[S-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-N-phosphono-sulfonimidoyl]methyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1 |
| InChIKey | InChI | 1.03 | LVBQTRQMXKDEFG-CRRUPIIHSA-N |
