Cephalosporins

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 278
Total Number of Articles : 637
PubChem 65536
Molecular Formula

C16H21N3O8S

SMILES

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

InChI

InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1

synonyms
  • cephalosporin C
  • 61-24-5
  • 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid
Click to show/hide the synonyms
Properties
Property Value
MW 415.4 g/mol
HBD 4
HBA 10
Rotatable Bond Count 10
Exact Mass 415.10493581 g/mol
Monoisotopic Mass 415.10493581 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 737
xlogp -4.4
Topological Polar Surface Area 202