443600
  -OEChem-04252413082D

 62 62  0     1  0  0  0  0  0999 V2000
    8.5043    3.9285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    3.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5010    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611    3.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9070    2.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075    4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256    3.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    3.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    2.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    2.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    2.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    0.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    2.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939    3.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -3.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -2.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -3.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -4.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -5.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -3.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 53  1  0  0  0  0
  2 14  2  0  0  0  0
  3 18  2  0  0  0  0
  4 26  2  0  0  0  0
  5  8  1  0  0  0  0
  5 62  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
 13  7  1  1  0  0  0
  7 18  1  0  0  0  0
  7 39  1  0  0  0  0
  8 26  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  1  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 17 23  1  0  0  0  0
 17 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 26  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 27  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
443600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
498

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAUCAAADSjhgAYCAAPQAgAIAAEQEAAAAAAAAAAgAIGIAAACUBIAgCAUQAAEFgCQAAGdmMKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-N-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]heptanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-<I>N</I>&apos;-hydroxy-<I>N</I>-[(2<I>S</I>)-1-[(2<I>S</I>)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide

> <PUBCHEM_IUPAC_NAME>
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-N'-oxidanyl-2-pentyl-butanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-[2-(hydroxyamino)-2-keto-ethyl]-N-[(1S)-2-methyl-1-[(2S)-2-methylolpyrrolidine-1-carbonyl]propyl]enanthamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XJLATMLVMSFZBN-VYDXJSESSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
385.25767123

> <PUBCHEM_MOLECULAR_FORMULA>
C19H35N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
385.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.25767123

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
17  19  6
13  7  5
9  15  5

$$$$