Mrv1652312081619462D          

 35 35  0  0  1  0            999 V2000
   -2.7356    1.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    1.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -0.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922   -0.1835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5922   -1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922   -2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922   -3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    0.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    1.0540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5922    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368    2.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    1.0540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049    1.3895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4764    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611    2.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634    2.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2664   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0914   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001036

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)\C=C/C(O)=O.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1

> <INCHI_KEY>
OYFJQPXVCSSHAI-QFPUQLAESA-N

> <FORMULA>
C24H32N2O9

> <MOLECULAR_WEIGHT>
492.525

> <EXACT_MASS>
492.210780618

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
40.21764213800197

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid; (2Z)-but-2-enedioic acid

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
0.5877766028820225

> <ALOGPS_LOGS>
-3.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.671330392672694

> <JCHEM_PKA_STRONGEST_BASIC>
5.201340771859483

> <JCHEM_POLAR_SURFACE_AREA>
95.94000000000001

> <JCHEM_REFRACTIVITY>
99.57459999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
enalapril; maleic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001036

> <NAME>
Enalapril maleate

> <DRUG_DRUGBANK_ID>
DB00584

> <DRUG_NAME>
Enalapril

> <CAS_NUMBER>
76095-16-4

> <UNII>
9O25354EPJ

$$$$