153241
 Wcorina  10100417213D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 57 60  0     1  0  0  0  0  0999 V2000
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    2.5763   -5.4164  -16.9351 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
153241

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
652

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAAAB0AAAHgAQAAAADBzhmgY/zpLIFECoArR33ASCiCA/YiAI2IGvbMmPJzbEtbuPMWhv9hta6ae42aOeCAAAQgAIAAAQAACEABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(3S)-tetrahydrofuran-3-yl] N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[3-[[[3-methoxy-4-(5-oxazolyl)anilino]-oxomethyl]amino]phenyl]methyl]carbamic acid [(3S)-3-oxolanyl] ester

> <PUBCHEM_IUPAC_NAME>
[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]benzyl]carbamic acid [(3S)-tetrahydrofuran-3-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JBPUGFODGPKTDW-SFHVURJKSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
452.169585

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
452.45986

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.169585

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  31  8
10  33  8
17  18  8
17  20  8
18  19  8
19  21  8
11  2  5
20  22  8
21  22  8
23  26  8
23  27  8
24  25  8
24  28  8
25  26  8
27  28  8
30  31  8
5  30  8
5  33  8

$$$$