Molecule ID: 71627151

IUPAC Name: (3R)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxytetradecanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-N-(4-methyl-1-oxopentan-2-yl)pentanediamide

Description: The molecule is a dicarboxylic acid diamide isolated from the fungus Metulocladosporiella and has been shown to exhibit antifungal activity. It has a role as an antifungal agent and a fungal metabolite. It is an aldehyde, a diol, a secondary alcohol and a dicarboxylic acid diamide.

SMILES: CCCCCCCCCCC[C@@H](O)CC(O)=N[C@@H](CC(=N)O)C(O)=NC(C(O)=NC(C=O)CC(C)C)[C@H](O)CC(=N)O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][O][C][Branch1][C][O][=N][C][Branch1][P][C][Branch1][C][O][=N][C][Branch1][Ring1][C][=O][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=N][O]

InChI: InChI=1S/C29H53N5O8/c1-4-5-6-7-8-9-10-11-12-13-21(36)15-26(40)33-22(16-24(30)38)28(41)34-27(23(37)17-25(31)39)29(42)32-20(18-35)14-19(2)3/h18-23,27,36-37H,4-17H2,1-3H3,(H2,30,38)(H2,31,39)(H,32,42)(H,33,40)(H,34,41)/t20?,21-,22+,23-,27?/m1/s1

Molecular Properties:
- Polar Surface Area: 231.0 Ų
- LogP: 1.5