67592200
  -OEChem-04262402312D

 49 50  0     0  0  0  0  0  0999 V2000
    3.0000   -4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5422    4.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    4.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  2  0  0  0  0
  5 28  1  0  0  0  0
  5 49  1  0  0  0  0
  6 28  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 38  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 40  1  0  0  0  0
  9 15  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 26  2  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67592200

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
554

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQCAAADEzhmgY//pLIFgCoAjf3fAKCiCk1IiAJ2CF+bNmNJnLEtZ+OOSjs1RPL6ae0QAAKAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[[2-(tert-butoxycarbonylamino)pyridine-4-carbonyl]amino]phenoxy]acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]-oxomethyl]amino]phenoxy]acetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carbonyl]amino]phenoxy]acetic acid

> <PUBCHEM_IUPAC_NAME>
2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carbonyl]amino]phenoxy]acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]carbonylamino]phenoxy]ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[[2-(tert-butoxycarbonylamino)isonicotinoyl]amino]phenoxy]acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N3O6/c1-19(2,3)28-18(26)22-15-10-12(8-9-20-15)17(25)21-13-4-6-14(7-5-13)27-11-16(23)24/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)(H,20,22,26)

> <PUBCHEM_IUPAC_INCHIKEY>
REIHCYWVMSULPS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
387.14303540

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
387.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)OC(=O)NC1=NC=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)OC(=O)NC1=NC=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
127

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
387.14303540

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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

> <PUBCHEM_BONDANNOTATIONS>
15  17  8
16  17  8
16  20  8
18  21  8
18  22  8
20  26  8
21  24  8
22  25  8
23  24  8
23  25  8
9  15  8
9  26  8

$$$$