QQB
Summary
| Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide |
| Formula: | C14 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.289 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | MYAGWVBNZBWFOS-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC(O)=O)Cc1cccc2ccccc12 |
| SMILES | CACTVS | 3.385 | N[CH](CNC(O)=O)Cc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2C[C@@H](CNC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CC(CNC(=O)O)N |
