Molecule ID: 119031

IUPAC Name: (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

Description: The molecule is a secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. It has a role as an antineoplastic agent and a matrix metalloproteinase inhibitor. It is a secondary carboxamide and a hydroxamic acid.

SMILES: CN=C(O)[C@@H](N=C(O)[C@H](CC(C)C)[C@H](O)C(O)=NO)C(C)(C)C

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

InChI: InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 0.5