Mrv2304 07132316312D          

 29 30  0  0  0  0            999 V2000
    1.7869   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0724   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2760   -1.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -1.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876    1.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0024   -0.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9504    0.5733    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435    0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028   -0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3761   -1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3367    0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1298    0.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765   -0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -0.6925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5521    0.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4612   -1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6824    2.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2777   -2.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  1  6  0  0  0
  5  6  1  0  0  0  0
  6  8  1  1  0  0  0
  8 13  1  0  0  0  0
 13 11  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 13  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 20 23  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  2  0  0  0  0
 24 27  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03688

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]1(SCCC(N)C(O)=O)SCCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2.2C4H9NO2S.Pt/c7-5-3-1-2-4-6(5)8;2*5-3(1-2-8)4(6)7;/h5-6H,1-4,7-8H2;2*3,8H,1-2,5H2,(H,6,7);/q;;;+2/p-2/t5-,6-;;;/m1.../s1

> <INCHI_KEY>
GLZOMFDXFLRMHZ-SKSSAGQDSA-L

> <FORMULA>
C14H30N4O4PtS2

> <MOLECULAR_WEIGHT>
577.62

> <EXACT_MASS>
577.13564

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
42.57751267799675

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{[(3aR,7aR)-2-[(3-amino-3-carboxypropyl)sulfanyl]-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]sulfanyl}-2-aminobutanoic acid

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
159.85999999999999

> <JCHEM_REFRACTIVITY>
119.31939999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-{[(3aR,7aR)-2-[(3-amino-3-carboxypropyl)sulfanyl]-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]sulfanyl}-2-aminobutanoic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET03688

> <NAME>
DACH platinum methionine

$$$$