QF0
Summary
| Name: | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid |
| Formula: | C14 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 229.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-4-naphthalen-2-yl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)Cc1ccc2ccccc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | WSVMIVFELRCSPA-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CC(O)=O)Cc1ccc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)Cc1ccc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)C[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)CC(CC(=O)O)N |
