1G8
Summary
| Name: | 4-(aminomethyl)-D-phenylalanine |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(aminomethyl)-D-phenylalanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-[4-(aminomethyl)phenyl]-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(cc1)CN |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | GNVNKFUEUXUWDV-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1ccc(C[C@@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | NCc1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@H](C(=O)O)N)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(C(=O)O)N)CN |
