Molecule ID: 10770229

IUPAC Name: [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E)-4-[4,5-dihydroxy-5-[(E)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoate

Description: The molecule is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has a role as an antibacterial agent, an antimicrobial agent and a marine metabolite. It is an organosulfur heterocyclic compound, a lactam, an enoate ester, a cyclic ether and a triol.

SMILES: C/C(=C\C(=O)OCCCCCCCC(O)=Nc1c(O)nc2cssc1-2)CC1CC(O)C(O)(C/C=C/C(C)C(C)O)CO1

SELFIES: [C][/C][=Branch2][Ring2][C][=C][\C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C][C][Branch1][C][O][=N][C][=C][S][S][C][=Ring1][=Branch2][Ring1][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][O][Branch1][=N][C][/C][=C][/C][Branch1][C][C][C][Branch1][C][C][O][C][O][Ring1][S]

InChI: InChI=1S/C30H44N2O8S2/c1-19(14-22-16-24(34)30(38,18-40-22)12-9-10-20(2)21(3)33)15-26(36)39-13-8-6-4-5-7-11-25(35)32-27-28-23(17-41-42-28)31-29(27)37/h9-10,15,17,20-22,24,33-34,38H,4-8,11-14,16,18H2,1-3H3,(H,31,37)(H,32,35)/b10-9+,19-15+

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: 2.5