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

Systemtic Name: 4-methyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]-4-methyl-valeric acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4/c1-13(2)12-17(21(28)29)22-19(26)18(14-8-4-3-5-9-14)25-20(27)15-10-6-7-11-16(15)23-24-25/h3-11,13,17-18H,12H2,1-2H3,(H,22,26)(H,28,29)