2973
  -OEChem-05211316122D

 87 86  0     0  0  0  0  0  0999 V2000
   17.2594   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7856    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6517   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7856    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1876   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3215    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0536    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9196   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6517   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5177    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1288   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3967   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.7890   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   25.5211   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3182   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5929   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2560    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   27.3226    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 80  1  0  0  0  0
  2 12  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
2973

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_MOLECULAR_WEIGHT>
560.68402

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.353363

> <PUBCHEM_EXACT_MASS>
560.353363

> <PUBCHEM_MOLECULAR_FORMULA>
C25H48N6O8

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)

> <PUBCHEM_IUPAC_INCHIKEY>
UBQYURCVBFRUQT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O

> <PUBCHEM_IUPAC_NAME>
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentyl]-N'-(5-aminopentyl)-N'-hydroxy-butanediamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-1,4-dioxobutyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-keto-butanoyl]-hydroxy-amino]pentyl]-N'-(5-aminopentyl)-N'-hydroxy-succinamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(5-azanylpentyl)-N-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]-N'-oxidanyl-butanediamide

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_COMPLEXITY>
739

> <PUBCHEM_CACTVS_TPSA>
206

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAUCAAACADBgAQCAALQAAAIAAEQEAAAAAAAAAAgAIEIAAAAABIAgAAEAAAAFgCAAAAVAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$