4-methyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-4-methyl-valeric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4/c1-10(2)9-13(16(23)24)17-14(21)7-8-20-15(22)11-5-3-4-6-12(11)18-19-20/h3-6,10,13H,7-9H2,1-2H3,(H,17,21)(H,23,24)