Ketcher 02101709392D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
    7.8869   -5.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869   -6.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228   -5.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7511   -5.1438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1585   -5.6428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228   -4.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4795   -5.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4795   -4.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6152   -5.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3436   -5.6428    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    9.6152   -6.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1565   -2.6653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1578   -3.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2895   -2.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4795   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1585   -6.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2943   -7.1396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228   -7.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3862   -6.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5741   -8.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0627   -7.4564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8813   -8.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1277   -9.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884  -10.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8026   -9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  3  5  1  1     0  0
  6  3  1  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
 10  7  1  0     0  0
  9  4  1  6     0  0
 11  9  1  0     0  0
 13 12  1  0     0  0
 14 12  1  0     0  0
 13  6  1  0     0  0
 11 15  1  0     0  0
 16 17  2  0     0  0
  5 16  1  0     0  0
 16 18  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 19 22  1  0     0  0
 19 15  2  0     0  0
 15 20  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 20 23  2  0     0  0
 26 21  2  0     0  0
M  END
> <ID>
CHEBI:133386

> <NAME>
N-acetyl-L-methionyl-L-tryptophyl residue

> <DEFINITION>
A peptidyl group derived from N-acetyl-L-methionyl-L-tryptophan.

> <STAR>
3

> <SYNONYM>
N-terminal N(alpha)-acetyl-L-methionyl-L-tryptophan residue; N-acetylmethionyltryptophyl residue; Ac-Met-Trp residue

> <FORMULA>
C18H22N3O3S

> <MASS>
360.452

> <MONOISOTOPIC_MASS>
360.13819

> <CHARGE>
0

> <SMILES>
C(=O)([C@@H](NC(=O)C)CCSC)N[C@H](C(=O)*)CC1=CNC=2C1=CC=CC2

> <METACYC_ACCESSION>
N-Ac-L-methionyl-L-tryptophanyl-Protein

$$$$