PHY
Summary
| Name: | 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID |
| Formula: | C6 H15 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 275.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-3-[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-3-[[(1S)-1-aminoethyl]-phosphonooxy-phosphoryl]-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](N)[P@@](=O)(C[C@H](C)C(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[P](=O)(C[CH](C)C(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CP(=O)(C(C)N)OP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | BAIYWTZQRMCJBV-DKDXWZAISA-N |
