Compound 111
  CheckMol                        TMF02:r0:m0
MF=C8H14N2O5S2 MW=282.33
 17 16  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.7324   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -0.7324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336   -0.7088   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -0.7088   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633    1.5356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -2.1971   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2448    0.0473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    0.0473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8509    2.2916   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    2.3035   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2566    1.5593   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5560   -0.6851   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385    1.5593   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4379   -0.6851   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  8  1  0  0  0  0
  6  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
M  END

2D Structure

N-Acetyl-L-Cystine

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Chemical Name - N-Acetyl-L-Cystine
Mol Weight - 282.34
Smiles - CC(N[C@@H](CSSC[C@@H](C(O)=O)N)C(O)=O)=O

Property Name	Property Value
Mol Name	N-Acetyl-L-Cystine
Molweight	282.34
Monoisotopic Mass	282.034413
Clogp	-3.4128
Clogs	-1.33
H Acceptors	7
H Donors	4
Total Surface Area	199.19
Relative Psa	0.63773
Polar Surface Area	180.32
Druglikeness	-14.743
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64706
Molecular Flexibility	0.8301
Molecular Complexity	0.48589
Fragments	1
Non H Atoms	17
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	2
Rotatable Bonds	8
Sp3 Atoms	10
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	2
Smiles	CC(N[C@@H](CSSC[C@@H](C(O)=O)N)C(O)=O)=O
InChIKey	InChI=1S/C8H14N2O5S2/c1-4(11)10-6(8(14)15)3-17-16-2-5(9)7(12)13/h5-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t5-,6-/m0/s1
InChI	ZLCOWUKVVFVVKA-WDSKDSINSA-N

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