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

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]-3-methyl-valeric acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H24N4O4/c1-3-14(2)19(22(29)30)23-20(27)18(13-15-9-5-4-6-10-15)26-21(28)16-11-7-8-12-17(16)24-25-26/h4-12,14,18-19H,3,13H2,1-2H3,(H,23,27)(H,29,30)