(E)-2-(3-methylbutanoylamino)but-2-enoic acid

Systemtic Name: (E)-2-(3-methylbutanoylamino)but-2-enoic acid Openeye Name: (E)-2-(3-methylbutanoylamino)but-2-enoic acid CAS Name: (E)-2-[(3-methyl-1-oxobutyl)amino]-2-butenoic acid IUPAC Name: (E)-2-(3-methylbutanoylamino)but-2-enoic acid Traditional Name: (E)-2-(isovalerylamino)but-2-enoic acid Formula: C9H15NO3 MolecularWeight: 185.2203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)O)NC(=O)CC(C)C

Isomeric SMILES

C/C=C(\C(=O)O)/NC(=O)CC(C)C

InChI

InChI=1S/C9H15NO3/c1-4-7(9(12)13)10-8(11)5-6(2)3/h4,6H,5H2,1-3H3,(H,10,11)(H,12,13)/b7-4+