Molecule ID: 70678758

IUPAC Name: (2R)-N'-[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2-methylpropanediamide

Description: The molecule is an epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-L-threonylleucinyl group. It is a proteasome inhibitor isolated from Streptomyces sp. TC 1087. It has a role as an antimicrobial agent, a proteasome inhibitor and a bacterial metabolite. It is a secondary alcohol, a primary alcohol, an epoxide, a ketone and a dicarboxylic acid diamide.

SMILES: CC(C)CC(N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](C)C(=N)O)[C@@H](C)O)[C@@H](C)O)C(=O)C1(CO)CO1

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

InChI: InChI=1S/C21H36N4O9/c1-9(2)6-13(16(29)21(7-26)8-34-21)23-19(32)14(11(4)27)25-20(33)15(12(5)28)24-18(31)10(3)17(22)30/h9-15,26-28H,6-8H2,1-5H3,(H2,22,30)(H,23,32)(H,24,31)(H,25,33)/t10-,11-,12-,13?,14+,15+,21?/m1/s1

Molecular Properties:
- Polar Surface Area: 221.0 Ų
- LogP: -2.3