PRQ
Summary
| Name: | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid |
| 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 | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccccc1C(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(O)=O)c1ccccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)c1ccccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(CC(=O)O)N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XXBOYULKNZTOMN-ZETCQYMHSA-N |
