temocillin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 18
PubChem 171758
Molecular Formula

C16H18N2O7S2

SMILES

CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C

InChI

InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1

synonyms
  • Temocillin
  • 66148-78-5
  • Temocillinum
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Properties
Property Value
MW 414.5 g/mol
HBD 3
HBA 9
Rotatable Bond Count 6
Exact Mass 414.05554326 g/mol
Monoisotopic Mass 414.05554326 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 700
xlogp 1.1
Topological Polar Surface Area 187