Mrv1572004051621442D          

 40 40  0  0  0  0            999 V2000
    1.8276   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420   -2.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -2.4748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1135   -3.2996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -2.4748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723   -2.4748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173    0.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    0.4556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4428    1.6267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6064    0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    1.0831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3628   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    1.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    0.7901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6064   -0.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573   -0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537    2.9231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    2.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572    0.3720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    1.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429    0.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682    0.7901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5682    1.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572    2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7429    0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682    3.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -0.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    1.7103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  1  0  0  0
 23 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 17 19  1  0  0  0  0
 24 29  1  0  0  0  0
 14 39  1  1  0  0  0
 17 40  1  1  0  0  0
M  END
> <DATABASE_ID>
DBSALT001144

> <DATABASE_NAME>
drugbank

> <SMILES>
N[C@@H](CCCNC(N)=N)C(O)=O.[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H32N2O5.C6H14N4O2/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;7-4(5(11)12)2-1-3-10-6(8)9/h12-16,20H,4-11H2,1-3H3,(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t12-,13-,14-,15-,16-;4-/m00/s1

> <INCHI_KEY>
RYCSJJXKEWBUTI-YDYAIEMNSA-N

> <FORMULA>
C25H46N6O7

> <MOLECULAR_WEIGHT>
542.678

> <EXACT_MASS>
542.342797845

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
40.031548030080366

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-carbamimidamidopentanoic acid; (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid

> <ALOGPS_LOGP>
0.56

> <JCHEM_LOGP>
0.6307438391420591

> <ALOGPS_LOGS>
-2.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7860549560034094

> <JCHEM_PKA_STRONGEST_BASIC>
5.48028801291153

> <JCHEM_POLAR_SURFACE_AREA>
95.94

> <JCHEM_REFRACTIVITY>
95.69279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-arginine; perindopril

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001144

> <NAME>
Perindopril arginine

> <DRUG_DRUGBANK_ID>
DB00790

> <DRUG_NAME>
Perindopril

> <CAS_NUMBER>
612548-45-5

> <UNII>
TFT5IM1KGB

$$$$