LDE
Summary
| Name: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
| Synonyms: | L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE |
| Formula: | C11 H22 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 295.269 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-[[[(1R)-1-azanyl-3-methyl-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[P](O)(=O)C[C@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)CC(N)P(=O)(CC(CCC(=O)O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | GANKYZVDRZVCGT-DTWKUNHWSA-N |
