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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-5-11(3)15(19(26)27)20-17(24)16(12(4)6-2)23-18(25)13-9-7-8-10-14(13)21-22-23/h7-12,15-16H,5-6H2,1-4H3,(H,20,24)(H,26,27)