cds

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 224
Total Number of Articles : 247
PubChem 16750131
Molecular Formula

C19H20N6O6S3

SMILES

CC1=C(SC=N1)/C=C\C2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C19H20N6O6S3/c1-8-11(34-7-21-8)4-3-9-5-32-16(24-12(9)17(27)28)14(18(29)30)23-15(26)13(25-31-2)10-6-33-19(20)22-10/h3-4,6-7,14,16,24H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,27,28)(H,29,30)/b4-3-,25-13-/t14-,16+/m0/s1

synonyms
  • CDS
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Properties
Property Value
MW 524.6 g/mol
HBD 5
HBA 14
Rotatable Bond Count 9
Exact Mass 524.06064590 g/mol
Monoisotopic Mass 524.06064590 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 900
xlogp 2.3
Topological Polar Surface Area 271