Glutaryl-7-aca

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 61
Total Number of Articles : 48
PubChem 446570
Molecular Formula

C15H18N2O8S

SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O

InChI

InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1

synonyms
  • Glutaryl-7-aminocephalosporanic acid
  • Glutaryl-7-aca
  • Gl-7-Aca
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Properties
Property Value
MW 386.4 g/mol
HBD 3
HBA 9
Rotatable Bond Count 9
Exact Mass 386.07838671 g/mol
Monoisotopic Mass 386.07838671 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 689
xlogp -1.7
Topological Polar Surface Area 176