125516
  -OEChem-04262414392D

 48 49  0     1  0  0  0  0  0999 V2000
    8.5570    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1942    3.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -3.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6589    2.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -2.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    3.3378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2839   -3.3378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1910    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1910    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929   -4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8249    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8249    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5970    2.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869   -2.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974    4.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1261    4.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -4.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -4.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558    4.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5845    4.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281   -4.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1993   -4.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3155    3.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    2.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -3.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119   -2.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6129    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2143    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4355    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7468    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7838    3.5063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3 23  1  0  0  0  0
  3 47  1  0  0  0  0
  4 24  1  0  0  0  0
  4 48  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  6  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  6  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
125516

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHgAACAAACCjBgAQACAMAAgAIAAGQGAAAAAAAAAAAAAGIAAACABIAgCAEQAAEBgCQAAGYGQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxo-hexanoyl]pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-1-[6-[(2R)-2-carboxy-1-pyrrolidinyl]-1,6-dioxohexyl]-2-pyrrolidinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-1-[6-[(2<I>R</I>)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-1-[6-[(2R)-2-carboxypyrrolidino]-6-keto-hexanoyl]proline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HZLAWYIBLZNRFZ-VXGBXAGGSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
340.16343649

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
340.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.16343649

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  24  6
9  23  6

$$$$