AEP
Summary
| Name: | 3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID |
| Formula: | C7 H14 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 239.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-{[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-[[(1R)-1-amino-3-hydroxy-3-oxo-propyl]-hydroxy-phosphoryl]-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(CC(C(=O)O)C)C(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](C[P](O)(=O)[C@@H](N)CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](C[P](O)(=O)[CH](N)CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CP(=O)(C(CC(=O)O)N)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | NJOTXUMMTTYQMQ-RFZPGFLSSA-N |
