213056
  -OEChem-04262414042D

 24 25  0     1  0  0  0  0  0999 V2000
    7.5418   -1.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5418    0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    0.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197    1.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5332    0.9974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -0.2626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1752   -1.2626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0418   -0.7626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2242    0.0464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2242   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0418   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    0.5139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208   -2.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021   -0.1638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872   -1.8817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -2.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -1.1775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1396    1.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1183    1.4582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618   -1.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  2  0  0  0  0
  9  5  1  6  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  1  0  0  0
  8 12  1  1  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
213056

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
290

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAAAAAAAAAGAAAAYAAAAAwAAAAAAAAAAAAAAAAHgAQCAAADYiBgAAACABAAgAIAACQCAAAAAAAAAAAAAGAAAACABIAgAAAQAAEEAAAAAG8//GegAAAAAAAAAAAAASAAAAAASAACQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,5<I>R</I>,6<I>S</I>)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_NAME>
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,5R,6S)-2-azanylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VTAARTQTOOYTES-RGDLXGNYSA-N

> <PUBCHEM_XLOGP3_AA>
-3.2

> <PUBCHEM_EXACT_MASS>
185.06880783

> <PUBCHEM_MOLECULAR_FORMULA>
C8H11NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
185.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C2C1C2C(=O)O)(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.06880783

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
9  5  6
6  14  5
7  15  5
8  12  5

$$$$