PPQ
Summary
| Name: | PHOSPHINOTHRICIN |
| Synonyms: | 2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID |
| Formula: | C5 H12 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 181.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(hydroxy-methyl-phosphoryl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(C)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(CCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | IAJOBQBIJHVGMQ-BYPYZUCNSA-N |
