PPN
Summary
| Name: | PARA-NITROPHENYLALANINE |
| Formula: | C9 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 210.187 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitro-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-nitrophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | GTVVZTAFGPQSPC-QMMMGPOBSA-N |
