SQ 29548

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 49
PubChem 5311448
Molecular Formula

C21H29N3O4

SMILES

C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)CNNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19-/m1/s1

synonyms
  • SQ 29548
  • 98672-91-4
  • (Z)-7-[(1S,2R,3R,4R)-3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
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Properties
Property Value
MW 387.5 g/mol
HBD 4
HBA 5
Rotatable Bond Count 10
Exact Mass 387.21580641 g/mol
Monoisotopic Mass 387.21580641 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 548
xlogp 0.3
Topological Polar Surface Area 99.7