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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-13(2)17(21(28)29)22-19(26)18(14-9-5-4-6-10-14)25-20(27)15-11-7-8-12-16(15)23-24-25/h4-13,17-18H,3H2,1-2H3,(H,22,26)(H,28,29)