4-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-oxazecane-5-carboxylic acid

Systemtic Name: 4-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-oxazecane-5-carboxylic acid Openeye Name: 4-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-1,4-oxazecane-5-carboxylic acid CAS Name: 4-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,4-oxazecane-5-carboxylic acid IUPAC Name: 4-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,4-oxazecane-5-carboxylic acid Traditional Name: 4-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-1,4-oxazecane-5-carboxylic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCOCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O6/c1-16(23-18(21(26)27)12-11-17-8-4-2-5-9-17)20(25)24-13-15-30-14-7-3-6-10-19(24)22(28)29/h2,4-5,8-9,16,18-19,23H,3,6-7,10-15H2,1H3,(H,26,27)(H,28,29)