CHEMBL275592

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 44267210
Molecular Formula

C34H40N4O7S2

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C3=NC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C34H40N4O7S2/c1-34(2,3)37-32(40)26-16-10-8-15-25(26)21-30(39)28(20-23-12-6-5-7-13-23)36-33(41)29(38-46(4,42)43)22-47(44,45)31-19-18-24-14-9-11-17-27(24)35-31/h5-19,28-30,38-39H,20-22H2,1-4H3,(H,36,41)(H,37,40)/t28-,29?,30+/m0/s1

synonyms
  • CHEMBL275592
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Properties
Property Value
MW 680.8 g/mol
HBD 4
HBA 9
Rotatable Bond Count 14
Exact Mass 680.23384197 g/mol
Monoisotopic Mass 680.23384197 g/mol
Heavy Atom Count 47
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1250
xlogp 3.9
Topological Polar Surface Area 188