11728600
  -OEChem-04262410412D

 48 51  0     1  0  0  0  0  0999 V2000
    4.0863    2.5358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3052   -0.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7791   -1.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9866   -0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5421    2.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1919    3.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -3.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    1.5532    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.7224   -3.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430   -0.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5140    0.2808    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5641    0.5873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7896    1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8358   -0.2074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6129    0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2545    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8881   -1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3008    1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5538    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684    3.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148   -0.8357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753    1.3258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022   -0.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068   -1.7989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    2.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740   -1.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508   -1.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508   -0.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128    0.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8684   -1.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5836   -0.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765   -0.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7549   -3.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2424   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6518    3.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5568    3.9098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6851    3.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
 13  2  1  1  0  0  0
  2 21  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 19  1  0  0  0  0
  4 26  1  0  0  0  0
  5 24  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
 11  8  1  1  0  0  0
 12  8  1  1  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 25  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  6  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11728600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
619

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAUAAAADSzhmAYyzoLQBACIAiTSWACCCAAlIgAgiIEObMkeZjLE9ZudMShn0BnY6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl (8R,9R,10S,12S)-8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
(8R,9R,10S,12S)-8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl (8<I>R</I>,9<I>R</I>,10<I>S</I>,12<I>S</I>)-8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl (8R,9R,10S,12S)-8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl (8R,9R,10S,12S)-8-(aminocarbonyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8R,9R,10S,12S)-8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N3O7/c1-23-12-5-8(15(21)24-2)4-11-13(12)9(7-26-16(18)22)17(25-3)14-10(19-14)6-20(11)27-17/h4-5,9-10,14,19H,6-7H2,1-3H3,(H2,18,22)/t9-,10-,14-,17+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BZGCXOINBLNVLE-VVALLAICSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
379.13795002

> <PUBCHEM_MOLECULAR_FORMULA>
C17H21N3O7

> <PUBCHEM_MOLECULAR_WEIGHT>
379.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC2=C1C(C3(C4C(N4)CN2O3)OC)COC(=O)N)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC2=C1[C@@H]([C@@]3([C@@H]4[C@@H](N4)CN2O3)OC)COC(=O)N)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
132

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.13795002

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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  18  6
16  17  8
16  19  8
17  20  8
19  22  8
13  2  5
20  23  8
22  23  8
11  8  5
12  8  5

$$$$