Marvin  04301309562D          

 13 13  0  0  1  0            999 V2000
    9.5578   -8.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5569   -9.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8437   -8.2054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2728   -8.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288   -8.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446   -7.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1967   -9.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0261   -8.5433    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5829   -9.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9810   -9.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -7.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5788   -7.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1671   -7.2159    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  1  1  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
  8  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <ID>
CHEBI:73393

> <NAME>
Ala-Pro

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

> <STAR>
3

> <SYNONYM>
L-Ala-L-Pro; AP; Alanylproline; A-P

> <IUPAC_NAME>
L-alanyl-L-proline

> <FORMULA>
C8H14N2O3

> <MASS>
186.20840

> <MONOISOTOPIC_MASS>
186.10044

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1

> <INCHIKEY>
WPWUFUBLGADILS-WDSKDSINSA-N

> <CAS_REGISTRY_NUMBER>
13485-59-1

> <REAXYS_REGISTRY_NUMBER>
3546017

> <CHEMIDPLUS>
13485-59-1

$$$$