2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid Openeye Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]propanoic acid IUPAC Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]propionic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4/c1-4-9(2)13(14(21)17-10(3)16(23)24)20-15(22)11-7-5-6-8-12(11)18-19-20/h5-10,13H,4H2,1-3H3,(H,17,21)(H,23,24)