ZV4
Summary
| Name: | (2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid |
| Synonyms: | phosphophenylalanine |
| Formula: | C9 H12 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 245.169 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | DGIHNAYKZDFPPV-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H](C(=O)O)N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C(=O)O)N)P(=O)(O)O |
