Obsolete: PLE
Summary
Name: | [(1R)-1-amino-3-methylbutyl]phosphonic acid |
Formula: | C5 H14 N O3 P |
Formal charge: | 0 |
Formula weight: | 167.143 Da |
Component type: | peptide-like |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | [(1R)-1-amino-3-methylbutyl]phosphonic acid |
OpenEye OEToolkits | 1.7.0 | [(1R)-1-azanyl-3-methyl-butyl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CC(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](N)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(N)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1 |
InChIKey | InChI | 1.03 | HGCAUCAWEADMPM-RXMQYKEDSA-N |