2-[3-[3-(3-methylbutanoylamino)butanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[3-(3-methylbutanoylamino)butanoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(3-methylbutanoylamino)butanoylamino]phenyl]acetic acid CAS Name: 2-[3-[[3-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[3-(3-methylbutanoylamino)butanoylamino]phenyl]acetic acid Traditional Name: 2-[3-[3-(isovalerylamino)butanoylamino]phenyl]acetic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-11(2)7-15(20)18-12(3)8-16(21)19-14-6-4-5-13(9-14)10-17(22)23/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)