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

Systemtic Name: 4-methyl-2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-10(2)9-14(18(25)26)19-16(23)15(11(3)4)22-17(24)12-7-5-6-8-13(12)20-21-22/h5-8,10-11,14-15H,9H2,1-4H3,(H,19,23)(H,25,26)