QQB
Summary
| Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide |
| Formula: | C14 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 228.29 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O/c15-13(9-16-10-17)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10,13H,8-9,15H2,(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | PEGZNJDSRGUFQW-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC=O)Cc1cccc2ccccc12 |
| SMILES | CACTVS | 3.385 | N[CH](CNC=O)Cc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2C[C@@H](CNC=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CC(CNC=O)N |
