5-[[4-(3-methylbutanoylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(3-methylbutanoylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(3-methylbutanoylamino)anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[(3-methyl-1-oxobutyl)amino]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(3-methylbutanoylamino)anilino]-5-oxopentanoic acid Traditional Name: 5-[4-(isovalerylamino)anilino]-5-keto-valeric acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11(2)10-15(20)18-13-8-6-12(7-9-13)17-14(19)4-3-5-16(21)22/h6-9,11H,3-5,10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)