2-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(3-methylbutanoylamino)benzoyl]amino]acetic acid CAS Name: 2-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(3-methylbutanoylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(isovalerylamino)benzoyl]amino]acetic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O4/c1-9(2)7-12(17)16-11-5-3-10(4-6-11)14(20)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)