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

Systemtic Name: 3-methyl-2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C18H24N4O4 MolecularWeight: 360.40756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-5-11(4)15(16(23)19-14(10(2)3)18(25)26)22-17(24)12-8-6-7-9-13(12)20-21-22/h6-11,14-15H,5H2,1-4H3,(H,19,23)(H,25,26)