ALN
Summary
| Name: | NAPHTHALEN-2-YL-3-ALANINE |
| Formula: | C13 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.248 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-naphthalen-1-yl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cccc2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cccc2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | OFYAYGJCPXRNBL-LBPRGKRZSA-N |
