Molecule ID: 136234286

IUPAC Name: [1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2,2-dimethyl-1-oxododecan-3-yl] (2S)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate

Description: The molecule is a cyclic hydroxamic acid derivative and antibiotic isolated from Nocardia sp. strain ND20. It exerts an inhibitory effect on lipid peroxidation and also has a potent protecting effect on neuronal cells. It has a role as an antimicrobial agent, a radical scavenger and a bacterial metabolite. It is a member of phenols, a carboxylic ester, a member of 1,3-oxazoles and a cyclic hydroxamic acid.

SMILES: CCCCCCCCCC(OC(=O)[C@H](CCCCN(O)C=O)N=C(O)c1nc(-c2ccccc2O)oc1C)C(C)(C)C(O)=NC1CCCCN(O)C1=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][Branch2][Ring2][O][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][C][N][Branch1][C][O][C][=O][N][=C][Branch1][C][O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=Ring1][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Branch1][C][O][C][Ring1][Branch2][=O]

InChI: InChI=1S/C38H57N5O10/c1-5-6-7-8-9-10-11-22-31(38(3,4)37(49)40-28-19-15-17-24-43(51)35(28)47)53-36(48)29(20-14-16-23-42(50)25-44)39-33(46)32-26(2)52-34(41-32)27-18-12-13-21-30(27)45/h12-13,18,21,25,28-29,31,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,49)/t28?,29-,31?/m0/s1

Molecular Properties:
- Polar Surface Area: 212.0 Ų
- LogP: 6.4