LWI
Summary
| Name: | 2-(aminomethyl)-L-phenylalanine |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(aminomethyl)-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-[2-(aminomethyl)phenyl]-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1ccccc1CN)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | RDAKEAJYLGZEEA-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccccc1C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NCc1ccccc1C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C[C@@H](C(=O)O)N)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(C(=O)O)N)CN |
