2-[[3,4-bis(oxidanylidene)-1-(3-phenylazanylimidazol-4-yl)pentan-2-yl]-methyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanylidene)-1-(3-phenylazanylimidazol-4-yl)pentan-2-yl]-methyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[(3-anilinoimidazol-4-yl)methyl]-2,3-dioxo-butyl]-methyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[1-(3-anilino-4-imidazolyl)-3,4-dioxopentan-2-yl]-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[[1-(3-anilinoimidazol-4-yl)-3,4-dioxopentan-2-yl]-methylamino]-4-methylpentanoic acid Traditional Name: 2-[[1-[(3-anilinoimidazol-4-yl)methyl]-2,3-diketo-butyl]-methyl-amino]-4-methyl-valeric acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C)C(CC1=CN=CN1NC2=CC=CC=C2)C(=O)C(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)N(C)C(CC1=CN=CN1NC2=CC=CC=C2)C(=O)C(=O)C

InChI

InChI=1S/C21H28N4O4/c1-14(2)10-19(21(28)29)24(4)18(20(27)15(3)26)11-17-12-22-13-25(17)23-16-8-6-5-7-9-16/h5-9,12-14,18-19,23H,10-11H2,1-4H3,(H,28,29)