omadacycline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 4
PubChem 54697325
Molecular Formula

C29H40N4O7

SMILES

CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C

InChI

InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1

synonyms
  • Omadacycline
  • Amadacycline
  • 389139-89-3
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Properties
Property Value
MW 556.6 g/mol
HBD 6
HBA 10
Rotatable Bond Count 7
Exact Mass 556.28969963 g/mol
Monoisotopic Mass 556.28969963 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1140
xlogp 3
Topological Polar Surface Area 177