1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azonane-2-carboxylic acid

Systemtic Name: 1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azonane-2-carboxylic acid Openeye Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]azonane-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-azonanecarboxylic acid IUPAC Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]azonane-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]azonane-2-carboxylic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O5/c1-16(23-18(21(26)27)14-13-17-10-6-5-7-11-17)20(25)24-15-9-4-2-3-8-12-19(24)22(28)29/h5-7,10-11,16,18-19,23H,2-4,8-9,12-15H2,1H3,(H,26,27)(H,28,29)