Marvin  10040715552D          

 29 30  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1830   -1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -1.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -2.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2863   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2646   -1.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5395   -2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8361   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  1  0  0  0
 16  2  1  0  0  0  0
  2  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5 18  2  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  1  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
 14  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 16 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 24  1  0  0  0  0
 25 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
> <ID>
CHEBI:43755

> <NAME>
lisinopril

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43750

> <SYNONYM>
lisinopril anhydrous; [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE; (S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline

> <IUPAC_NAME>
N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline

> <FORMULA>
C21H31N3O5

> <MASS>
405.48790

> <MONOISOTOPIC_MASS>
405.22637

> <CHARGE>
0

> <SMILES>
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O

> <INCHI>
InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1

> <INCHIKEY>
RLAWWYSOJDYHDC-BZSNNMDCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4276619

> <CAS_REGISTRY_NUMBER>
76547-98-3

> <CHEMIDPLUS>
76547-98-3

> <DRUGBANK_ACCESSION>
DB00722

> <LINCS_ACCESSION>
LSM-5756

> <PDBECHEM_ACCESSION>
LPR

> <WIKIPEDIA_ACCESSION>
Lisinopril

$$$$