Molecule ID: 71627152

IUPAC Name: (3R)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxytetradecanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-N-(3-methyl-1-oxobutan-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)C(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][S][C][Branch1][C][O][=N][C][Branch1][Ring1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=N][O]

InChI: InChI=1S/C28H51N5O8/c1-4-5-6-7-8-9-10-11-12-13-19(35)14-25(39)31-20(15-23(29)37)27(40)33-26(22(36)16-24(30)38)28(41)32-21(17-34)18(2)3/h17-22,26,35-36H,4-16H2,1-3H3,(H2,29,37)(H2,30,38)(H,31,39)(H,32,41)(H,33,40)/t19-,20+,21?,22-,26?/m1/s1

Molecular Properties:
- Polar Surface Area: 231.0 Ų
- LogP: 1.2