HOX
4-amino-L-phenylalanine
Created: | 2009-08-25 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 4-amino-L-phenylalanine |
Systematic Name (OpenEye OEToolkits) | (2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid |
Formula | C9 H12 N2 O2 |
Molecular Weight | 180.204 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)C(N)Cc1ccc(N)cc1 |
SMILES | CACTVS | 3.352 | N[CH](Cc1ccc(N)cc1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C(=O)O)N)N |
Canonical SMILES | CACTVS | 3.352 | N[C@@H](Cc1ccc(N)cc1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](C(=O)O)N)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | CMUHFUGDYMFHEI-QMMMGPOBSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 151001, 6973639 |
ChEMBL | CHEMBL231389 |
ChEBI | CHEBI:143072, CHEBI:29737 |