2-[[3-methyl-2-(3-quinolin-4-ylpropanoylamino)butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[3-methyl-2-(3-quinolin-4-ylpropanoylamino)butanoyl]amino]butanedioic acid Openeye Name: 2-[[3-methyl-2-[3-(4-quinolyl)propanoylamino]butanoyl]amino]butanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-3-(4-quinolinyl)propyl]amino]butyl]amino]butanedioic acid IUPAC Name: 2-[[3-methyl-2-(3-quinolin-4-ylpropanoylamino)butanoyl]amino]butanedioic acid Traditional Name: 2-[[3-methyl-2-[3-(4-quinolyl)propanoylamino]butanoyl]amino]succinic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCC1=CC=NC2=CC=CC=C12

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCC1=CC=NC2=CC=CC=C12

InChI

InChI=1S/C21H25N3O6/c1-12(2)19(20(28)23-16(21(29)30)11-18(26)27)24-17(25)8-7-13-9-10-22-15-6-4-3-5-14(13)15/h3-6,9-10,12,16,19H,7-8,11H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)