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

Systemtic Name: 4-methyl-2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-5-12(4)16(17(24)20-15(19(26)27)10-11(2)3)23-18(25)13-8-6-7-9-14(13)21-22-23/h6-9,11-12,15-16H,5,10H2,1-4H3,(H,20,24)(H,26,27)