56721289
  -OEChem-04232412042D

 49 51  0     1  0  0  0  0  0999 V2000
    6.1452    3.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7114    3.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.9434    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.5955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464    2.6478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9641    1.9434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2731    0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    2.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    2.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1342    3.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1287    3.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7978    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6069    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6826    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831    0.4554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8395    1.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887    1.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451    0.4554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779    3.1168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119    3.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    2.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    2.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3051    4.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5769    3.7287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3765    1.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6689    4.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0676    2.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  8  6  1  6  0  0  0
  6 14  1  0  0  0  0
  6 33  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  6  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
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 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 20 25  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56721289

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoPABECIAilSkACCCAAkIAAIiIGODMgMZj6E9TuWOWjm9hGIqYe8ySCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,4S)-N-(3-furylmethyl)-4-[(2-methoxybenzoyl)amino]-1-methyl-pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,4S)-N-(3-furanylmethyl)-4-[[(2-methoxyphenyl)-oxomethyl]amino]-1-methyl-2-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,4<I>S</I>)-<I>N</I>-(furan-3-ylmethyl)-4-[(2-methoxybenzoyl)amino]-1-methylpyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(2S,4S)-N-(furan-3-ylmethyl)-4-[(2-methoxybenzoyl)amino]-1-methylpyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,4S)-N-(furan-3-ylmethyl)-4-[(2-methoxyphenyl)carbonylamino]-1-methyl-pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,4S)-N-(3-furfuryl)-1-methyl-4-(o-anisoylamino)pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O4/c1-22-11-14(21-18(23)15-5-3-4-6-17(15)25-2)9-16(22)19(24)20-10-13-7-8-26-12-13/h3-8,12,14,16H,9-11H2,1-2H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VFNVQKMBKAUWFQ-HOCLYGCPSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
357.16885622

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
357.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC(CC1C(=O)NCC2=COC=C2)NC(=O)C3=CC=CC=C3OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C[C@H](C[C@H]1C(=O)NCC2=COC=C2)NC(=O)C3=CC=CC=C3OC

> <PUBCHEM_CACTVS_TPSA>
83.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.16885622

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
16  18  8
16  19  8
17  20  8
17  21  8
18  22  8
19  23  8
20  25  8
22  24  8
23  24  8
4  21  8
4  25  8
8  6  6
9  12  6

$$$$