Molecule ID: 70697762

IUPAC Name: [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R)-4-methyl-5-oxohex-2-enyl]oxan-2-yl]-4-hydroxy-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, a bacterial metabolite and a marine metabolite. It is an enoate ester, a lactam, a cyclic ether and an organosulfur heterocyclic compound.

SMILES: CC(=O)[C@H](C)/C=C/C[C@H]1CO[C@@H]([C@H](O)/C(C)=C/C(=O)OCCCCCCCC(O)=Nc2c(O)nc3cssc2-3)[C@H](O)[C@@H]1O

SELFIES: [C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][/C][C@H1][C][O][C@@H1][Branch2][Ring2][#Branch2][C@H1][Branch1][C][O][/C][Branch1][C][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@H1][Branch1][C][O][C@@H1][Ring2][Ring2][C][O]

InChI: InChI=1S/C30H42N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,20,25-28,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,20+,25-,26-,27-,28+/m1/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: 1.9