L3A
Summary
| Name: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| Synonyms: | L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE |
| Formula: | C9 H20 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 237.233 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.7.2 | (2R)-3-[[(1R)-1-azanyl-3-methyl-butyl]-oxidanyl-phosphoryl]-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(C(N)CC(C)C)CC(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[P](O)(=O)C[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[P](O)(=O)C[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)CC(N)P(=O)(CC(C)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | PYHFMEIRRPJIRC-JGVFFNPUSA-N |
