Marvin  05101315252D          

 17 16  0  0  1  0            999 V2000
    9.6853   -8.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853   -9.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9709   -8.1505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3997   -8.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -8.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9709   -7.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   -8.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   -7.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1142   -8.5630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5432   -8.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5420   -4.8504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5420   -5.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -6.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -6.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1142   -9.3880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3997   -9.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   -9.8005    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
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
  9  4  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 14 13  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
M  END
> <ID>
CHEBI:73606

> <NAME>
Lys-Thr

> <DEFINITION>
A dipeptide formed from L-lysine and L-threonine residues.

> <STAR>
3

> <SYNONYM>
lysylthreonine; Lysyl-Threonine; L-Lys-L-Thr; KT; K-T

> <IUPAC_NAME>
L-lysyl-L-threonine

> <FORMULA>
C10H21N3O4

> <MASS>
247.29140

> <MONOISOTOPIC_MASS>
247.15321

> <CHARGE>
0

> <SMILES>
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O

> <INCHI>
InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7+,8+/m1/s1

> <INCHIKEY>
ZOKVLMBYDSIDKG-CSMHCCOUSA-N

> <REAXYS_REGISTRY_NUMBER>
5030946

$$$$