Molecule ID: 70697854

IUPAC Name: [10-oxo-10-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]decyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-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 and a bacterial metabolite. It is an enoate ester, a lactam and an organosulfur heterocyclic compound.

SMILES: C/C(=C\C(=O)OCCCCCCCCCC(O)=Nc1c(O)nc2cssc1-2)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

SELFIES: [C][/C][=Branch2][Ring2][Ring2][=C][\C][=Branch1][C][=O][O][C][C][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][O][C][C@H1][Branch1][=N][C][/C][=C][/C@@H1][Branch1][C][C][C@H1][Branch1][C][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#C][O]

InChI: InChI=1S/C32H48N2O9S2/c1-19(21(3)35)12-11-13-22-17-43-30(29(40)28(22)39)27(38)20(2)16-25(37)42-15-10-8-6-4-5-7-9-14-24(36)34-26-31-23(18-44-45-31)33-32(26)41/h11-12,16,18-19,21-22,27-30,35,38-40H,4-10,13-15,17H2,1-3H3,(H,33,41)(H,34,36)/b12-11+,20-16+/t19-,21+,22+,27-,28-,29-,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 225.0 Ų
- LogP: 3.1