P0L
Summary
| Name: | (2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
| Formula: | C14 H22 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 315.302 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-[[(1R)-1-azanyl-3-methyl-butyl]-hydroxy-phosphoryl]oxy-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[P](O)(=O)O[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[P](O)(=O)O[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H22NO5P/c1-10(2)8-13(15)21(18,19)20-12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | NWWDZELTKBSVDG-QWHCGFSZSA-N |
