Molecule ID: 10482623

IUPAC Name: (2E,10Z,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-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 antimicrobial agent, an antibacterial 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)C(C)C(C)OC(=N)O)CC(C)C/C(C)=C/C(=O)O

SELFIES: [C][=C][Branch2][Ring2][#Branch2][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][Branch1][C][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/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 4.8