59392532
  -OEChem-05142408242D

 67 69  0     1  0  0  0  0  0999 V2000
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    4.7064    4.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    1.0026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    3.5560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  1  0  0  0
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 22  9  1  1  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
59392532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
909

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABggAAAABAAAAHgAQAAAADCzBmAYyBoLABACIAqFSEAKCCAAgIAAAiIHOiMgNZzKEsT6UMCIl1hWKqYeQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-acetamido-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2-acetamido-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-2-acetamido-<I>N</I>-[(7<I>S</I>)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5<I>H</I>-benzo[a]heptalen-7-yl]butanamide

> <PUBCHEM_IUPAC_NAME>
(2R)-2-acetamido-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2-acetamido-N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-acetamido-N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H32N2O7/c1-7-18(27-14(2)29)26(31)28-19-10-8-15-12-22(33-4)24(34-5)25(35-6)23(15)16-9-11-21(32-3)20(30)13-17(16)19/h9,11-13,18-19H,7-8,10H2,1-6H3,(H,27,29)(H,28,31)/t18-,19+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NVVQDVJKPCOJJT-MOPGFXCFSA-N

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
484.22095136

> <PUBCHEM_MOLECULAR_FORMULA>
C26H32N2O7

> <PUBCHEM_MOLECULAR_WEIGHT>
484.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@H](C(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
484.22095136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
13  16  8
13  19  8
14  15  8
14  18  8
15  17  8
16  21  8
17  23  8
18  24  8
19  25  8
21  27  8
23  24  8
25  28  8
27  28  8
10  8  5
22  9  5

$$$$