P5D
Summary
| Name: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
| Synonyms: | L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE |
| Formula: | C13 H18 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 315.259 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-[[[(1R)-1-azanyl-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | HUMGCALEJILOSC-WDEREUQCSA-N |
