Mrv0541 08281415342D          

 13 13  0  0  1  0            999 V2000
   12.7878   -9.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733   -9.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733   -8.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3588   -9.6520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3588  -10.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6443   -9.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299   -9.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299  -10.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155   -9.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010   -9.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155  -10.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010  -10.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5023   -9.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  2  0  0  0  0
  1 13  1  0  0  0  0
M  END
> <ID>
CHEBI:49339

> <NAME>
methyl L-phenylalaninate

> <DEFINITION>
An α-amino acid ester that is the methyl ester of L-phenylalanine.

> <STAR>
3

> <SYNONYM>
(S) -phenylalanine methyl ester

> <IUPAC_NAME>
methyl L-phenylalaninate

> <FORMULA>
C10H13NO2

> <MASS>
179.21570

> <MONOISOTOPIC_MASS>
179.09463

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1

> <INCHIKEY>
VSDUZFOSJDMAFZ-VIFPVBQESA-N

> <CAS_REGISTRY_NUMBER>
2577-90-4

> <REAXYS_REGISTRY_NUMBER>
2212290

> <CHEMIDPLUS>
2577-90-4

> <PDBECHEM_ACCESSION>
0A9

$$$$