44151639
  -OEChem-05072417112D

 25 23  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  CHG  5   1   1   2  -1   4  -1   6  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
44151639

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByPCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQACALAAAAIAACQCAAAAAAAAAAAAIGIAAACABgAACAEAAAGEACQAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2-[[(1S)-1,2-dicarboxylatoethyl]amino]butanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-[[(1S)-1,2-dicarboxylatoethyl]amino]butanedioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2-[[(1<I>S</I>)-1,2-dicarboxylatoethyl]amino]butanedioate

> <PUBCHEM_IUPAC_NAME>
sodium;2-[[(1S)-1,2-dicarboxylatoethyl]amino]butanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-[[(2S)-1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]butanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2-[[(1S)-1,2-dicarboxylatoethyl]amino]succinate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H11NO8.Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);/q;+1/p-4/t3-,4?;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
SGCNRYGGTNQJOV-ZRCOPKFRSA-J

> <PUBCHEM_EXACT_MASS>
268.00693546

> <PUBCHEM_MOLECULAR_FORMULA>
C8H7NNaO8-3

> <PUBCHEM_MOLECULAR_WEIGHT>
268.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H](C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
173

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.00693546

> <PUBCHEM_TOTAL_CHARGE>
-3

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  10  5
11  13  3

$$$$