Mrv0541 02251413372D          

 30 32  0  0  0  0            999 V2000
   -0.2661    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8773   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062   -0.2074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2013    1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4496    0.2051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7463   -0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5229   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416   -0.0261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8291   -0.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061    0.6556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1186    1.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.2051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0207    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.2051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5917    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8773    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4248    1.0297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1873    1.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0123    1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4248    2.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7351   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7351   -1.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
 21  9  1  0  0  0  0
  9 19  1  0  0  0  0
 19 29  1  0  0  0  0
 29 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 17  1  0  0  0  0
 25 11  1  0  0  0  0
 11 15  1  0  0  0  0
 15 12  1  0  0  0  0
 17 15  1  0  0  0  0
 17 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  1  0  0  0
 17 18  1  1  0  0  0
 19 20  1  1  0  0  0
 21 22  1  1  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 27  1  6  0  0  0
 27 26  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
> <ID>
CHEBI:77363

> <NAME>
ramiprilat

> <DEFINITION>
A dipeptide that is the active metabolite of ramipril. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.

> <STAR>
3

> <IUPAC_NAME>
(2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid

> <INN>
ramiprilatum; ramiprilate; ramiprilat

> <FORMULA>
C21H28N2O5

> <MASS>
388.45740

> <MONOISOTOPIC_MASS>
388.19982

> <CHARGE>
0

> <SMILES>
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O

> <INCHI>
InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1

> <INCHIKEY>
KEDYTOTWMPBSLG-HILJTLORSA-N

> <CAS_REGISTRY_NUMBER>
87269-97-4

> <REAXYS_REGISTRY_NUMBER>
4212094

> <CHEMIDPLUS>
87269-97-4

> <PDBECHEM_ACCESSION>
X92

> <PUBMED_CITATION>
1650863; 19795361; 21147310; 21535409; 21545343; 22022329; 22076778; 23372044; 23591995; 2483427; 2485060; 7768254; 8118952

$$$$