Molecule ID: 10052850

IUPAC Name: (2E,10Z,12E)-20-(3-carbamoyloxybutanoylamino)-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid

Description: The molecule is a fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has a role as an antibacterial agent, an antimicrobial agent and a bacterial metabolite. It is a carbamate ester, a fatty acid derivative, a monocarboxylic acid and a monocarboxylic acid amide.

SMILES: C=C(CC/C=C\C=C\CC(C)CC(=O)CC(O)CN=C(O)CC(C)OC(=N)O)CC(C)C/C(C)=C/C(=O)O

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

InChI: InChI=1S/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6-,10-8+,23-16+

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 4.2