57524164
  -OEChem-04262407242D

 70 68  0     1  0  0  0  0  0999 V2000
    0.5369   10.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    5.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1661    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    9.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9713    9.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982   10.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3513   10.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2442    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782    2.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7767    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3011    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 63  1  0  0  0  0
  2 22  2  0  0  0  0
  3 27  1  0  0  0  0
  3 66  1  0  0  0  0
  4 27  2  0  0  0  0
 25  5  1  6  0  0  0
  5 64  1  0  0  0  0
  5 65  1  0  0  0  0
  6 26  1  0  0  0  0
  6 28  2  0  0  0  0
  7 28  1  0  0  0  0
  7 67  1  0  0  0  0
  7 68  1  0  0  0  0
  8 28  1  0  0  0  0
  8 69  1  0  0  0  0
  8 70  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 26  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 27  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57524164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQDCAJAAgAoAACQLAAAAAEAAAAAAIGAAAACABIAgAAAQAAEEAAAAAGY2aCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H28O2.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-4(5(11)12)2-1-3-10-6(8)9/h2-13H2,1H3,(H,15,16);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZLFNBYCWRCZZFE-VWMHFEHESA-N

> <PUBCHEM_EXACT_MASS>
402.32060583

> <PUBCHEM_MOLECULAR_FORMULA>
C20H42N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
402.6

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

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

> <PUBCHEM_CACTVS_TPSA>
165

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
402.32060583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
25  5  6

$$$$