Marvin  05171313562D          

 17 17  0  0  1  0            999 V2000
    8.5402   -7.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5402   -8.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8258   -7.2024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2547   -7.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1113   -7.6148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8258   -6.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837   -7.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837   -6.3773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9693   -7.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3982   -7.6148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3232   -6.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1518   -7.2792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7101   -5.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1078   -6.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4845   -8.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7039   -7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2915   -8.6067    0.0000 C   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  0  0  0  0
 12 11  1  6  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 12 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <ID>
CHEBI:73349

> <NAME>
Ala-Gly-Pro

> <DEFINITION>
A tripeptide composed of L-alanine, glycine, and L-proline joined in sequence by peptide linkages.

> <STAR>
3

> <SYNONYM>
L-Ala-Gly-L-Pro; AGP; A-G-P

> <IUPAC_NAME>
L-alanylglycyl-L-proline

> <FORMULA>
C10H17N3O4

> <MASS>
243.25970

> <MONOISOTOPIC_MASS>
243.12191

> <CHARGE>
0

> <SMILES>
C[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O

> <INCHI>
InChI=1S/C10H17N3O4/c1-6(11)9(15)12-5-8(14)13-4-2-3-7(13)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1

> <INCHIKEY>
MQIGTEQXYCRLGK-BQBZGAKWSA-N

$$$$