133440
  -OEChem-08092309332D

 32 33  0     0  0  0  0  0  0999 V2000
    6.1808    1.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4207    2.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9408    2.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -0.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -3.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717    2.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    2.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -0.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -0.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -2.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -1.5799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    4.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0743    3.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    3.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6159    4.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -0.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -0.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.9564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
133440

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
490

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAWIAAAAAAAAAAAAAAAAAAAAAHgAEAAAACADBgAQACAMQAACIACHSGACAAAAAAAAoCAEIAEAAABAAgAAEAAAEBiCAAYAlAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2,5-dioxo-1-pyrrolyl)butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

> <PUBCHEM_IUPAC_NAME>
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]butanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-maleimidobutyric acid succinimido ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12N2O6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18/h3-4H,1-2,5-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
PVGATNRYUYNBHO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
280.06953611

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
280.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.06953611

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
