A1ADY
Summary
| Name: | (2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol |
| Formula: | C9 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 210.187 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-nitro-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(2-nitrophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1ccccc1CC(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | SDZGVFSSLGTJAJ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccccc1[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C[C@@H](C(=O)O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(C(=O)O)N)[N+](=O)[O-] |
