4II
Summary
| Name: | (2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid |
| Formula: | C9 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.201 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NEMHIKRLROONTL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(C(=O)O)N)N=[N+]=[N-] |
