Molecule ID: 65807

IUPAC Name: (1S,6R)-6-hydroxy-5-methylidene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

Description: The molecule is a commercially important azabicyclic antibiotic obtained from Streptomyces sapporonensis. It inhibits the Rho protein of E. coli. It has a role as an antibacterial agent, an antiinfective agent and an antidiarrhoeal drug. It is an azabicycloalkane and a bridged compound.

SMILES: C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)N=C(O)[C@@]1(O)N=C2O

SELFIES: [C][=C][C][C][O][C@][Branch1][=C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][O][N][=C][Branch1][C][O][C@@][Ring1][S][Branch1][C][O][N][=C][Ring1][#C][O]

InChI: InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: -2.9