Marvin  05011314432D          

 13 12  0  0  1  0            999 V2000
    8.7625  -10.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -10.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0480   -9.6416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4769   -9.6416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3335  -10.0541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0480   -8.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -8.4041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9062   -9.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1946  -10.0570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9031   -8.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6383  -10.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1846  -10.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8796  -11.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
  9  4  1  6  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <ID>
CHEBI:73462

> <NAME>
Cys-Ser

> <DEFINITION>
A dipeptide composed of L-cysteine and L-serine joined by a peptide linkage.

> <STAR>
3

> <SYNONYM>
L-Cys-L-Ser; CS; C-S

> <IUPAC_NAME>
L-cysteinyl-L-serine

> <FORMULA>
C6H12N2O4S

> <MASS>
208.23500

> <MONOISOTOPIC_MASS>
208.05178

> <CHARGE>
0

> <SMILES>
N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O

> <INCHI>
InChI=1S/C6H12N2O4S/c7-3(2-13)5(10)8-4(1-9)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)/t3-,4-/m0/s1

> <INCHIKEY>
YXQDRIRSAHTJKM-IMJSIDKUSA-N

> <REAXYS_REGISTRY_NUMBER>
14655380

$$$$