NA8
Summary
| Name: | (1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM |
| Formula: | C13 H14 N O2 |
| Formal charge: | 1 |
| Formula weight: | 216.256 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1-carboxy-2-naphthalen-2-ylethanaminium |
| OpenEye OEToolkits | 1.6.1 | [(2S)-1-hydroxy-3-naphthalen-2-yl-1-oxo-propan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | [NH3+][C@@H](Cc1ccc2ccccc2c1)C(O)=O |
| SMILES | CACTVS | 3.352 | [NH3+][CH](Cc1ccc2ccccc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2cc(ccc2c1)CC(C(=O)O)[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | JPZXHKDZASGCLU-LBPRGKRZSA-O |
