Marvin  09080812122D          

 28 29  0  0  1  0            999 V2000
   10.8975   -4.8473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6842   -5.1785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0217   -4.0192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1936   -5.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224   -4.5574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9326   -5.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8084   -3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   -3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898   -4.8473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1936   -6.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0505   -4.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7192   -6.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7255   -2.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2764   -2.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7445   -5.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898   -4.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989   -5.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0406   -4.8473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0406   -4.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367   -5.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7445   -3.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367   -3.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5915   -4.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7445   -2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8876   -5.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0406   -2.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1045   -5.7582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8021   -3.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  1  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 12 17  1  0  0  0  0
  2 27  1  1  0  0  0
  5 28  1  1  0  0  0
M  END
> <ID>
CHEBI:8024

> <NAME>
perindopril

> <DEFINITION>
An α-amino acid ester that is the ethyl ester of N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvaline

> <STAR>
3

> <SYNONYM>
(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid

> <IUPAC_NAME>
ethyl N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvalinate

> <INN>
perindoprilum; perindopril

> <FORMULA>
C19H32N2O5

> <MASS>
368.46786

> <MONOISOTOPIC_MASS>
368.23112

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC

> <INCHI>
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

> <INCHIKEY>
IPVQLZZIHOAWMC-QXKUPLGCSA-N

> <CAS_REGISTRY_NUMBER>
82834-16-0

> <REAXYS_REGISTRY_NUMBER>
4300272

> <CHEMIDPLUS>
82834-16-0

> <DRUGBANK_ACCESSION>
DB00790

> <KEGG_COMPOUND_ACCESSION>
C07706

> <KEGG_DRUG_ACCESSION>
D03753

> <LINCS_ACCESSION>
LSM-4080

> <WIKIPEDIA_ACCESSION>
Perindopril

> <PUBMED_CITATION>
24291100; 24324048; 24357222; 24511479; 24515310; 24554346; 24590580; 24602481; 24664905

$$$$