eravacycline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 4
PubChem 54726192
Molecular Formula

C27H31FN4O8

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F

InChI

InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1

synonyms
  • ERAVACYCLINE
  • TP-434
  • 1207283-85-9
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Properties
Property Value
MW 558.6 g/mol
HBD 6
HBA 11
Rotatable Bond Count 5
Exact Mass 558.21259212 g/mol
Monoisotopic Mass 558.21259212 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1200
xlogp 1
Topological Polar Surface Area 194