Marvin  04261110472D          

 12 12  0  0  1  0            999 V2000
   12.1167   -6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4022   -6.6605    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6878   -6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8312   -6.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -5.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4022   -7.4854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733   -6.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733   -7.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588   -6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588   -7.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443   -6.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443   -7.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  6  1  1  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
> <ID>
CHEBI:21371

> <NAME>
L-phenylalanine amide

> <DEFINITION>
An amino acid amide derived from L-phenylalanine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44372

> <SYNONYM>
phenylalanine amide; phenylalaninamide; PheNH2; Phe-NH2; L-Phe-NH2; H-Phe-NH2; (S)-2-amino-3-phenylpropanamide

> <IUPAC_NAME>
L-phenylalaninamide

> <FORMULA>
C9H12N2O

> <MASS>
164.20440

> <MONOISOTOPIC_MASS>
164.09496

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1ccccc1)C(N)=O

> <INCHI>
InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1

> <INCHIKEY>
OBSIQMZKFXFYLV-QMMMGPOBSA-N

> <CAS_REGISTRY_NUMBER>
5241-58-7

> <REAXYS_REGISTRY_NUMBER>
2091704

> <CHEMIDPLUS>
5241-58-7

> <PDBECHEM_ACCESSION>
NFA

> <PUBMED_CITATION>
12862373; 18323628; 2653820; 448749; 455643

$$$$