-OEChem-03101014062D

 15 15  0     1  0  0  0  0  0999 V2000
    0.9504    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444    1.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2004   -0.5434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334    0.5855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444    0.3485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2404    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674   -0.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4955    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374   -0.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
413540

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
118364

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI from molfile.  Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

> <PUBCHEM_SUBSTANCE_SYNONYM>
.alpha.-N-Acetyl-L-histidine
.alpha.-N-Acetylhistidine
2497-02-1
Histidine, N-acetyl-, L-
L-Histidine, N-acetyl-
N-Acetyl-L-histidine
N-Acetylhistidine
N2-Acetylhistidine
NSC118364

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2497-02-1

> <PUBCHEM_XREF_EXT_ID>
118364

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=118364

> <PUBCHEM_CID_ASSOCIATIONS>
273260  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$