1G2
Summary
| Name: | (2S)-2-azido-3-phenylpropanoic acid |
| Formula: | C9 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.187 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-azido-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azido-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(/N=[N+]=[N-])Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | DIFYSVZHVRAXAV-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-] |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](Cc1ccccc1)N=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(=O)O)N=[N+]=[N-] |
