2973
  -OEChem-04252416392D

 87 86  0     0  0  0  0  0  0999 V2000
   13.2583    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5851    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6540   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 32 77  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
2973

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
739

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAUCAAACADBgAQCAALQAAAIAAEQEAAAAAAAAAAgAIEIAAAAABIAgAAEAAAAFgCAAAAVAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <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_NAME_MARKUP>
<I>N</I>-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-<I>N</I>&apos;-(5-aminopentyl)-<I>N</I>&apos;-hydroxybutanediamide

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

> <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_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_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_EXACT_MASS>
560.35336251

> <PUBCHEM_MOLECULAR_FORMULA>
C25H48N6O8

> <PUBCHEM_MOLECULAR_WEIGHT>
560.7

> <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_CACTVS_TPSA>
206

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.35336251

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$