1549101
  -OEChem-05261305232D

 27 26  0     1  0  0  0  0  0999 V2000
    2.0000   -1.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4400    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
 11  5  1  6  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
 10  6  1  6  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
M  CHG  4   1  -1   2  -1   5   1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
1549101

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
164

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQACABAAAAIAACQCAAAAAAAAAAAAIGAAAACABIAgAAAAAAEEAAAAAGYyCCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,6S)-2,6-bis(azaniumyl)heptanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,6S)-2,6-diammonioheptanedioate

> <PUBCHEM_IUPAC_NAME>
(2R,6S)-2,6-bis(azaniumyl)heptanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,6S)-2,6-bis(azaniumyl)heptanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,6S)-2,6-diammoniopimelate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+

> <PUBCHEM_IUPAC_INCHIKEY>
GMKMEZVLHJARHF-SYDPRGILSA-N

> <PUBCHEM_XLOGP3_AA>
-4.6

> <PUBCHEM_EXACT_MASS>
190.095357

> <PUBCHEM_MOLECULAR_FORMULA>
C7H14N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
190.19706

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CC(C(=O)[O-])[NH3+])CC(C(=O)[O-])[NH3+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C[C@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+]

> <PUBCHEM_CACTVS_TPSA>
136

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
190.095357

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  5  6
10  6  6

$$$$