23F
Summary
Name: | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID |
Synonyms: | DEHYDROPHENYLALANINE |
Formula: | C9 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 163.173 Da |
Component type: | PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2Z)-2-amino-3-phenylprop-2-enoic acid |
OpenEye OEToolkits | 1.5.0 | (Z)-2-amino-3-phenyl-prop-2-enoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(/N)=C/c1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | N\C(=C/c1ccccc1)C(O)=O |
SMILES | CACTVS | 3.341 | NC(=Cc1ccccc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)\C=C(\C(=O)O)/N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=C(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6- |
InChIKey | InChI | 1.03 | YWIQQKOKNPPGDO-VURMDHGXSA-N |