2D8
Summary
| Name: | (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| Formula: | C6 H14 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 195.153 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-[[(1S)-1-azanylethyl]-oxidanyl-phosphoryl]-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(C(N)C)CC(C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | XXVGIEKADYFHOF-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)[P](O)(=O)C[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N)[P](O)(=O)C[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CP(=O)(C(C)N)O)C(=O)O |
