lig

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 6
PubChem 154815695
Molecular Formula

C20H32N2O4S

SMILES

CCCC[C@@H]([C@H](O)S)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H32N2O4S/c1-4-5-11-16(19(24)27)21-18(23)17(12-14(2)3)22-20(25)26-13-15-9-7-6-8-10-15/h6-10,14,16-17,19,24,27H,4-5,11-13H2,1-3H3,(H,21,23)(H,22,25)/t16-,17-,19+/m0/s1

synonyms
  • RN2
  • LIG
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Properties
Property Value
MW 396.5 g/mol
HBD 4
HBA 5
Rotatable Bond Count 12
Exact Mass 396.20827868 g/mol
Monoisotopic Mass 396.20827868 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 442
xlogp 4.1
Topological Polar Surface Area 88.7