HOX

4-amino-L-phenylalanine

Created: 2009-08-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count25
Aromatic Bond Count6
2D diagram of HOX

Chemical Component Summary

Name4-amino-L-phenylalanine
Systematic Name (OpenEye OEToolkits)(2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid
FormulaC9 H12 N2 O2
Molecular Weight180.204
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C(O)C(N)Cc1ccc(N)cc1
SMILESCACTVS3.352N[CH](Cc1ccc(N)cc1)C(O)=O
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1CC(C(=O)O)N)N
Canonical SMILESCACTVS3.352 N[C@@H](Cc1ccc(N)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(ccc1C[C@@H](C(=O)O)N)N
InChIInChI1.03 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
InChIKeyInChI1.03 CMUHFUGDYMFHEI-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 151001, 6973639
ChEMBL CHEMBL231389
ChEBI CHEBI:143072, CHEBI:29737