0ML
Summary
| Name: | (2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide |
| Formula: | C11 H15 I N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 334.153 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-3-azanyl-2-hydroxy-N-[(4-iodophenyl)methyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccc(cc1)CNC(=O)C(O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)[C@H](O)C(=O)NCc1ccc(I)cc1 |
| SMILES | CACTVS | 3.370 | C[CH](N)[CH](O)C(=O)NCc1ccc(I)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)NCc1ccc(cc1)I)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15IN2O2/c1-7(13)10(15)11(16)14-6-8-2-4-9(12)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | RZRIEDDODBQONL-XVKPBYJWSA-N |
