Molecule ID: 11272874

IUPAC Name: [8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-phenylacetate

Description: The molecule is a benzamide obtained by formal condensation of the carboxy group of 3-formamido-2-hydroxybenzoic acid with the amino group of 3-amino-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl phenylacetate. It is a microbial metabolite isolated from Streptomyces. It has a role as a metabolite, an antimicrobial agent and a nematicide. It is a member of phenols, a member of formamides, a member of benzamides and a macrodiolide. It derives from a phenylacetic acid.

SMILES: CCCCC1C(=O)OC(C)C(N=C(O)c2cccc(N=CO)c2O)C(=O)OC(C)C1OC(=O)Cc1ccccc1

SELFIES: [C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring2][N][=C][O][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Ring2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C29H34N2O9/c1-4-5-12-21-26(40-23(33)15-19-10-7-6-8-11-19)18(3)39-29(37)24(17(2)38-28(21)36)31-27(35)20-13-9-14-22(25(20)34)30-16-32/h6-11,13-14,16-18,21,24,26,34H,4-5,12,15H2,1-3H3,(H,30,32)(H,31,35)

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: 4.6