prinomastat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 13
PubChem 466151
Molecular Formula

C18H21N3O5S2

SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C

InChI

InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1

synonyms
  • Prinomastat
  • 192329-42-3
  • AG-3340
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Properties
Property Value
MW 423.5 g/mol
HBD 2
HBA 8
Rotatable Bond Count 5
Exact Mass 423.09226313 g/mol
Monoisotopic Mass 423.09226313 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 638
xlogp 1.5
Topological Polar Surface Area 143