
 DL-CYSTINE

 26 25  0  0  0  0  0  0  0  0999 V2000
    1.2732   -1.0373    0.8518 C   0  0  0  0  0
    1.2185   -2.5392    1.1682 C   0  0  0  0  0
    1.6538   -3.3355   -0.0627 C   0  0  0  0  0
    1.0595   -3.3814   -1.1294 O   0  0  0  0  0
    2.8162   -4.0040    0.0952 O   0  0  0  0  0
    1.9957   -2.9076    2.3814 N   0  0  0  0  0
    2.9847   -0.3900    0.6901 S   0  0  0  0  0
    2.6598    1.5845    0.2186 S   0  0  0  0  0
    2.1962    2.2859    1.8425 C   0  0  0  0  0
    1.9976    3.8024    1.7392 C   0  0  0  0  0
    1.4136    4.2890    3.0711 C   0  0  0  0  0
    0.3178    3.9771    3.5112 O   0  0  0  0  0
    2.2831    5.0988    3.7289 O   0  0  0  0  0
    3.2765    4.5439    1.4799 N   0  0  0  0  0
    0.7389   -0.8314   -0.0822 H   0  0  0  0  0
    0.7779   -0.4874    1.6590 H   0  0  0  0  0
    0.1783   -2.8242    1.3657 H   0  0  0  0  0
    2.9791   -4.4065   -0.7841 H   0  0  0  0  0
    2.9809   -2.7137    2.1767 H   0  0  0  0  0
    1.9620   -3.9237    2.4826 H   0  0  0  0  0
    2.9756    2.0521    2.5771 H   0  0  0  0  0
    1.2671    1.8092    2.1718 H   0  0  0  0  0
    1.2825    4.0613    0.9493 H   0  0  0  0  0
    3.0892    5.1531    3.1548 H   0  0  0  0  0
    3.8160    3.9903    0.8028 H   0  0  0  0  0
    3.0396    5.3977    0.9616 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 18  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 24  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
DL-CYSTINE

>  <PubChem CID>
595

>  <Formula>
C6H12N2O4S2

>  <Molecular Weight>
240.292000

>  <IUPAC Name>
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid

>  <XlogP>
-6.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C(C(C(=O)O)N)SSCC(C(=O)O)N

>  <Isomeric SMILES>
C(C(C(=O)O)N)SSCC(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

>  <InChI Key>
LEVWYRKDKASIDU-UHFFFAOYSA-N

