2-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]butanedioic acid CAS Name: 2-[[2-methyl-1,4-dioxo-4-(phenethylamino)butyl]amino]butanedioic acid IUPAC Name: 2-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]butanedioic acid Traditional Name: 2-[[4-keto-2-methyl-4-(phenethylamino)butanoyl]amino]succinic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H22N2O6/c1-11(16(23)19-13(17(24)25)10-15(21)22)9-14(20)18-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)