2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]amino]butanedioic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-1-oxopentyl]amino]butanedioic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]amino]succinic acid Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C18H21N3O7/c1-9(2)7-13(15(24)19-12(17(26)27)8-14(22)23)21-16(25)10-5-3-4-6-11(10)20-18(21)28/h3-6,9,12-13H,7-8H2,1-2H3,(H,19,24)(H,20,28)(H,22,23)(H,26,27)