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

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-13(2)18(21(28)29)22-19(26)17(12-14-8-4-3-5-9-14)25-20(27)15-10-6-7-11-16(15)23-24-25/h3-11,13,17-18H,12H2,1-2H3,(H,22,26)(H,28,29)