PTA
Summary
| Name: | [(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PHOSPHINOYL]-ACETIC ACID |
| Formula: | C7 H16 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 209.18 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[[(1R)-1-azanyl-3-methyl-butyl]-hydroxy-phosphoryl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CP(=O)(O)C(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[P](O)(=O)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[P](O)(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(N)P(=O)(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H16NO4P/c1-5(2)3-6(8)13(11,12)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | QLKPCHBADCFRHB-ZCFIWIBFSA-N |
