Ketcher 11121516122D 1   1.00000     0.00000     0

 16 17  0     1  0            999 V2000
    8.9593   -4.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9593   -3.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933   -4.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2273   -4.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8252   -4.6494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6913   -4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6913   -3.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5573   -4.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5574   -2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4234   -4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4234   -3.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2895   -2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1555   -3.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554   -4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2894   -4.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933   -5.6494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  5  1  1  0     0  0
  7  6  1  0     0  0
  8  6  2  0     0  0
  9  7  2  0     0  0
 10  8  1  0     0  0
 11  9  1  0     0  0
 11 10  2  0     0  0
  5  6  1  0     0  0
 13 12  2  0     0  0
 11 12  1  0     0  0
 14 13  1  0     0  0
 15 14  2  0     0  0
 15 10  1  0     0  0
  3 16  1  1     0  0
M  END
> <ID>
CHEBI:90349

> <NAME>
L-alanine 2-naphthylamide

> <DEFINITION>
An L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of L-alanine with the amino group of 2-naphthylamine.

> <STAR>
3

> <SYNONYM>
L-alanine-2-naphthylamide; L-alanine beta-naphthylamide; (S)-2-Amino-N-(2-naphthyl)propionamide

> <IUPAC_NAME>
N-naphthalen-2-yl-L-alaninamide

> <FORMULA>
C13H14N2O

> <MASS>
214.264

> <MONOISOTOPIC_MASS>
214.11061

> <CHARGE>
0

> <SMILES>
C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2

> <INCHI>
InChI=1S/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)/t9-/m0/s1

> <INCHIKEY>
RQHPADKWNYTHOH-VIFPVBQESA-N

> <CAS_REGISTRY_NUMBER>
720-82-1

> <REAXYS_REGISTRY_NUMBER>
2108688

> <CHEMIDPLUS>
720-82-1

> <PUBMED_CITATION>
16872; 1978256; 1980189

$$$$