Ertapenem

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 39
Total Number of Articles : 82
PubChem 150610
Molecular Formula

C22H25N3O7S

SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1

synonyms
  • Ertapenem
  • 153832-46-3
  • Invanz
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Properties
Property Value
MW 475.5 g/mol
HBD 5
HBA 9
Rotatable Bond Count 7
Exact Mass 475.14132132 g/mol
Monoisotopic Mass 475.14132132 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 893
xlogp -1.5
Topological Polar Surface Area 182