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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7/c1-3-9(2)14(15(24)19-12(17(26)27)8-13(22)23)21-16(25)10-6-4-5-7-11(10)20-18(21)28/h4-7,9,12,14H,3,8H2,1-2H3,(H,19,24)(H,20,28)(H,22,23)(H,26,27)