Marvin  11151113322D          

 24 26  0  0  0  0            999 V2000
   18.5265   -6.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5265   -7.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8120   -6.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8120   -7.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0975   -6.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0975   -7.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2410   -6.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2410   -5.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9555   -6.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6700   -6.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4237   -6.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7563   -5.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9758   -5.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5634   -5.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3831   -7.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6686   -7.2511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149   -7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5824   -6.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3629   -6.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7753   -6.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5952   -7.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1954   -5.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7434   -8.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1432   -4.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  1  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
  9 10  1  0  0  0  0
  6 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  2  0  0  0  0
 15 16  1  0  0  0  0
 11 21  2  0  0  0  0
 18 22  2  0  0  0  0
 17 23  2  0  0  0  0
 12 24  2  0  0  0  0
M  END
> <ID>
CHEBI:63174

> <NAME>
succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate

> <DEFINITION>
An N-hydroxysuccinimide ester derived from 4-(N-maleimidomethyl)cyclohexane-1-carboxylic acid.

> <STAR>
3

> <SYNONYM>
SMCC; N-Hydroxysuccinimidyl 4-(N-maleimidomethylcyclohexane)-1-carboxylate; N-(4-Carboxycyclohexylmethyl)maleimide N-hydroxysuccinimide ester

> <IUPAC_NAME>
1-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}cyclohexyl)methyl]-1H-pyrrole-2,5-dione

> <FORMULA>
C16H18N2O6

> <MASS>
334.32390

> <MONOISOTOPIC_MASS>
334.11649

> <CHARGE>
0

> <SMILES>
O=C1CCC(=O)N1OC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O

> <INCHI>
InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2

> <INCHIKEY>
JJAHTWIKCUJRDK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
64987-85-5

> <REAXYS_REGISTRY_NUMBER>
1555271

> <CHEMIDPLUS>
64987-85-5

> <PUBMED_CITATION>
19509417; 21517041; 21772990

$$$$