Ms-QFR-Kbt

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 135169285
Molecular Formula

C28H36N8O6S2

SMILES

CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1

synonyms
  • N-0385
  • Ms-QFR-Kbt
  • SCHEMBL20319060
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Properties
Property Value
MW 644.8 g/mol
HBD 6
HBA 10
Rotatable Bond Count 17
Exact Mass 644.21992324 g/mol
Monoisotopic Mass 644.21992324 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1140
xlogp 0.7
Topological Polar Surface Area 278