Molecule ID: 25144999

IUPAC Name: (3E,5E,7Z)-8-[[(4Z,6Z,8E,10E,12Z,14E)-3-hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethylhexadeca-4,6,8,10,12,14-hexaenoyl]amino]-2-methylnona-3,5,7-trienoic acid

Description: The molecule is a polyene antibiotic obtained from Bacillus subtilis 168 that is active against a broad spectrum of bacteria. It is notoriously unstable. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite. It is an enamine, a secondary alcohol, a polyketide, a polyene antibiotic and a monocarboxylic acid amide.

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

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

InChI: InChI=1S/C34H48N2O6/c1-25(2)23-31(38)33(40)35-22-16-9-7-8-11-17-26(3)18-14-15-19-27(4)30(37)24-32(39)36-29(6)21-13-10-12-20-28(5)34(41)42/h7-21,25,28,30-31,37-38H,22-24H2,1-6H3,(H,35,40)(H,36,39)(H,41,42)/b8-7-,13-10+,15-14-,16-9+,17-11+,20-12+,26-18+,27-19-,29-21-

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: 6.0