A1H2H
Summary
| Name: | (2~{S})-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid |
| Formula: | C9 H9 F N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 228.177 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9FN2O4/c10-6-3-5(4-7(11)9(13)14)1-2-8(6)12(15)16/h1-3,7H,4,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | RNFDTNUXJMFIMQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(c(F)c1)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(c(F)c1)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C[C@@H](C(=O)O)N)F)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(C(=O)O)N)F)[N+](=O)[O-] |
