154730904
  -OEChem-08092309332D

 54 55  0     0  0  0  0  0  0999 V2000
    5.3147   -3.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    6.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2710    6.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -4.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -7.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    6.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -5.9376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    7.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0109    7.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -5.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -4.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -5.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -6.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -7.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    3.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    4.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    8.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4044    7.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6173    7.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9461    8.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -6.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -5.3299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -3.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -4.5453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027   -2.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.0453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3928   -3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7913   -2.3299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6574   -0.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8347    0.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362   -0.0453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    2.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3022    1.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    1.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3894    2.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -6.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -7.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8569    2.9798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2554    3.6701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 22  2  0  0  0  0
  9 23  2  0  0  0  0
 10 30  2  0  0  0  0
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 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
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 19 40  1  0  0  0  0
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 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
154730904

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
644

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7PAAAAAAAAAAAAAAAAAAAAWIAAAAAAAAAAAAAAAAAAAAAHgAEAAAACADhgAYACAMQBACIACHSGAKAAAAAAAAoCAFIAEADABAAgAQHAAAABiCSAYAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-[2-[2-[2-(2,5-dioxo-1-pyrrolyl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (2,5-dioxo-1-pyrrolidinyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetate

> <PUBCHEM_IUPAC_NAME>
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-[2-[2-[2-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-[2-[2-(2-maleimidoethoxy)ethoxy]ethoxy]ethoxy]acetic acid succinimido ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H24N2O10/c21-14-1-2-15(22)19(14)5-6-26-7-8-27-9-10-28-11-12-29-13-18(25)30-20-16(23)3-4-17(20)24/h1-2H,3-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
GMCIZYRLSCHXJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
428.14309497

> <PUBCHEM_MOLECULAR_FORMULA>
C18H24N2O10

> <PUBCHEM_MOLECULAR_WEIGHT>
428.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O

> <PUBCHEM_CACTVS_TPSA>
138

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
428.14309497

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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

$$$$
