66250
 OpenBabel05082101102D

 28 26  0  0  1  0  0  0  0  0999 V2000
    7.4040    3.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    2.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10  4  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  1  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
66250

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
176

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
5

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjsAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQBCAJAAgAoAACQLAAAAAEAAAAAAIGAAAACABIAgAAAQAAEEAAAAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-amino-5-guanidino-pentanoic acid;hydrochloride

>  <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

>  <PUBCHEM_IUPAC_NAME>
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid;hydrochloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-amino-5-guanidino-valeric acid;hydrochloride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1

>  <PUBCHEM_IUPAC_INCHIKEY>
KWTQSFXGGICVPE-WCCKRBBISA-N

>  <PUBCHEM_EXACT_MASS>
210.088353

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H15ClN4O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
210.66

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(CC(C(=O)O)N)CN=C(N)N.Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(C[C@@H](C(=O)O)N)CN=C(N)N.Cl

>  <PUBCHEM_CACTVS_TPSA>
128

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.088353

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  4  6

$$$$
