P3P
Summary
| Name: | (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID |
| Synonyms: | PHOSPHINOTHRICIN PHOSPHATE |
| Formula: | C5 H13 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 261.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(methyl-phosphonooxy-phosphoryl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](=O)(CC[C@H](N)C(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[P](=O)(CC[CH](N)C(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | UXRZHSKRCMUNIN-YZSVAWROSA-N |
